SCHEMBL7816540

SCHEMBL7816540

Cc1ccc(C(=O)Nc2ccc(C=O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
ALDH1A1 P00352 5/20 0.58
POLB P06746 4/20 0.58
LMNA P02545 3/20 0.58
MAPK1 P28482 2/20 0.58
GAA P10253 1/20 0.58
XBP1 P17861 1/20 0.58
RAB9A P51151 7/20 0.57
NPC1 O15118 5/20 0.57
ATM Q13315 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
NFKB1 P19838 1/20 0.53

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
SCHEMBL31650343 0.84 MAPT (0.78) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL14691256 0.82 MAPT (0.50) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL14691259 0.82 MAPT (0.50) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL8068098 0.81 HTT (0.62) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL14706208 0.79 ALDH1A1 (0.52) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL26343251 0.78 MAPT (0.61) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL25590305 0.76 MAPT (0.51) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL3017185 0.75 TSHR (0.62) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL12406969 0.75 KMT2A (0.71) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL8713449 0.75 KMT2A (0.71) MAPTKMT2AMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed