SCHEMBL3071601

SCHEMBL3071601

CC(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 1/20 0.56
ALOX5 P09917 4/20 0.54
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP3A4 P08684 1/20 0.52
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.49

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
SCHEMBL17785885 0.90 TSHR (0.52) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL17785611 0.89 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL9817983 0.87 ALOX5 (0.53) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL29952942 0.86 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL789411 0.85 ALOX5 (0.53) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL10820796 0.85 ALOX5 (0.53) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL26417639 0.84 ALOX5 (0.44) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL17785689 0.84 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL13226001 0.83 KMT2A (0.63) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL7949230 0.83 TAS1R3 (0.55) MEN1KMT2AALDH1A1MAPTRAB9A

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