SCHEMBL3088486

SCHEMBL3088486

CC(C)(C)C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
HTT P42858 3/20 0.60
HPGD P15428 2/20 0.60
MAPK1 P28482 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
P2RX1 P51575 1/20 0.46
ALOX5 P09917 1/20 0.45
DDX3X O00571 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL14574199 0.88 MEN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL3205682 0.83 SMN1; SMN2 (0.69) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL3065489 0.83 ALDH1A1 (0.59) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL7063751 0.82 KMT2A (0.85) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL7335938 0.79 SMN1; SMN2 (0.69) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6262245 0.78 MEN1 (0.49) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL10305757 0.78 SIRT2 (0.47) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL23441 0.78 L3MBTL1 (0.73) MEN1KMT2AMAPTHTTL3MBTL1
SCHEMBL9652246 0.77 ALOX5 (0.54) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL20323996 0.76 KMT2A (0.54) MEN1KMT2AMAPTSMN1; SMN2HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592738-B1 RESIN COMPOSITIONS CIBA HOLDING INC (CH) 2020-07-29 EP disclosed
US-7790793-B2 Amide nucleating agent compositions CIBA SPECIALTY CHEM. CORP. (US) 2010-09-07 US disclosed
US-20070149663-A1 Resin compositions CIBA SPECIALTY CHEMICALS CORP. 2007-06-28 US disclosed
EP-1592738-A2 RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2005-11-09 EP disclosed
WO-2004072168-A2 RESIN COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-26 WO disclosed