SCHEMBL5050962

SCHEMBL5050962

NC(=O)Cc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.63
ALDH1A1 P00352 1/20 0.63
TP53 P04637 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP2C19 P33261 1/20 0.63
STAT6 P42226 1/20 0.63
HIF1A Q16665 1/20 0.63
PHLPP2 Q6ZVD8 1/20 0.63
HSD17B10 Q99714 1/20 0.63
MAOA P21397 5/20 0.50
MAOB P27338 4/20 0.50
PTPRC P08575 3/20 0.43
S100A4 P26447 2/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CES1 P23141 1/20 0.43
HSP90AA1 P07900 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12228464 0.81 ALDH1A1 (0.73) CYP1A2ALDH1A1TP53CYP3A4CYP2D6
SCHEMBL9068398 0.80 MAOA (0.51) CYP1A2ALDH1A1TP53CYP3A4CYP2D6
SCHEMBL8738471 0.79 ALDH1A1 (1.00) CYP1A2ALDH1A1TP53CYP3A4CYP2D6
SCHEMBL28968859 0.78 ALDH1A1 (0.67) CYP1A2ALDH1A1TP53CYP3A4CYP2D6
SCHEMBL25485875 0.75 ALDH1A1 (0.92) CYP1A2ALDH1A1TP53CYP3A4CYP2D6
SCHEMBL3698304 0.75 TP53 (0.77) CYP1A2ALDH1A1TP53CYP3A4CYP2D6
SCHEMBL6235000 0.75 ALDH1A1 (0.77) CYP1A2ALDH1A1TP53CYP3A4CYP2D6
SCHEMBL159214 0.73 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2D6CYP2C19POLB
SCHEMBL11197670 0.73 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2D6CYP2C19POLB
Hydrochloric Acid SCHEMBL11116584 0.71 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2D6CYP2C19POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345108-B2 Additives for imparting mar and scratch resistance and compositions comprising the same PPG INDUSTRIES OHIO, INC. (US) 2008-03-18 US disclosed
US-7268176-B2 Additives for imparting mar and scratch resistance and compositions comprising the same PPG INDUSTRIES OHIO, INC. (US) 2007-09-11 US disclosed
US-20060178473-A1 Sulfonamide modified aminoplast crosslinkers and powder coating compositions containing such crosslinkers HU SHENGKUI 2006-08-10 US disclosed
US-7087683-B2 Sulfonamide modified aminoplast crosslinkers and powder coating compositions containing such crosslinkers PPG INDUSTRIES OHIO, INC. (US) 2006-08-08 US disclosed
US-20060078748-A1 Novel additives for imparting Mar and scratch resistance and compositions comprising the same AMBROSE RONALD R 2006-04-13 US disclosed
US-6809161-B2 Storage stable PPG INDUSTRIES OHIO, INC. 2004-10-26 US disclosed
US-6797387-B2 UNGELLED REACTION PRODUCT OF AN AMINOPLAST, A URETHANE GROUP-CONTAINING ADDUCT, WHICH IS A PRODUCT OF AN ISOCYANATE AND A POLYFUNCTIONAL POLYMER, AND AROMATIC, KETONE AND 1,4-DIOXANE DERIVATIVES WITH REACTIVE HYDROGEN GROUPS PPG INDUSTRIES OHIO INC. 2004-09-28 US disclosed
US-6784258-B2 UNGELLED REACTION PRODUCT OF AN AMINOPLAST, A URETHANE GROUP-CONTAINING ADDUCT, WHICH IS A PRODUCT OF AN ISOCYANATE AND A POLYFUNCTIONAL POLYMER, AND AROMATIC, KETONE AND 1,4-DIOXANE DERIVATIVES WITH REACTIVE HYDROGEN GROUPS PPG INDUSTRIES OHIO, INC. 2004-08-31 US disclosed
US-20040116585-A1 Novel additives for imparting mar and scratch resistance and compositions comprising the same PPG INDUSTRIES OHIO, INC. 2004-06-17 US disclosed
EP-1421128-A1 MODIFIED AMINOPLAST CROSSLINKERS AND POWDER COATING COMPOSITIONS CONTAINING SUCH CROSSLINKERS PPG Industries Ohio, Inc. (US) 2004-05-26 EP disclosed
WO-2003011935-A2 MODIFIED AMINOPLAST CROSSLINKERS AND POWDER COATING COMPOSITIONS CONTAINING SUCH CROSSLINKERS PPG INDUSTRIES OHIO, INC. (US) 2003-02-13 WO disclosed
WO-2003011933-A1 MODIFIED AMINOPLAST CROSSLINKERS AND POWDER COATING COMPOSITIONS CONTAINING SUCH CROSSLINKERS PPG INDUSTRIES OHIO, INC (US) 2003-02-13 WO disclosed
WO-2003011970-A1 MODIFIED AMINOPLAST CROSSLINKERS AND POWDER COATING COMPOSITIONS CONTAINING SUCH CROSSLINKERS PPG INDUSTRIES OHIO, INC. (US) 2003-02-13 WO disclosed
WO-2003011936-A1 MODIFIED AMINOPLAST CROSSLINKERS AND POWDER COATING COMPOSITIONS CONTAINING SUCH CROSSLINKERS PPG INDUSTRIES OHIO, INC. (US) 2003-02-13 WO disclosed
WO-2003011932-A1 MODIFIED AMINOPLAST CROSSLINKERS AND POWER COATING COMPOSITIONS CONTAINING SUCH CROSSLINKERS PPG INDUSTRIES OHIO, INC. (US) 2003-02-13 WO disclosed
WO-2003011934-A1 MODIFIED AMINOPLAST CROSSLINKERS AND POWDER COATING COMPOSITIONS CONTAINING SUCH CROSSLINKERS PPG INDUSTRIES OHIO, INC. (US) 2003-02-13 WO disclosed
US-20020132935-A1 Modified aminoplast crosslinkers and powder coating compositions containing such crosslinkers PPG INDUSTRIES OHIO, INC. 2002-09-19 US disclosed
US-20020071955-A1 Modified aminoplast crosslinkers and powder coating compositions containing such crosslinkers PPG INDUSTRIES OHIO, INC. 2002-06-13 US disclosed
US-20020040112-A1 Modified aminoplast crosslinkers and powder coating compositions containing such crosslinkers PPG INDUSTRIES OHIO, INC. 2002-04-04 US disclosed
US-20020037973-A1 Modified aminoplast crosslinkers and powder coating compositions containing such crosslinkers PPG INDUSTRIES OHIO, INC. 2002-03-28 US disclosed