SCHEMBL7825463

SCHEMBL7825463

COc1ccc(Cn2nnc(C(=O)O)c2C(=O)c2ccc(C)cc2[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
AKR1C3 P42330 7/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
MEN1 O00255 1/20 0.39
PDE8B O95263 1/20 0.39

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
SCHEMBL7830535 0.94 ALOX15 (0.41) ALOX15L3MBTL1AKR1C3POLBMAPT
SCHEMBL7827258 0.93 ALOX15 (0.42) ALOX15L3MBTL1NPC1CYP1A2CYP3A4
SCHEMBL7816184 0.90 CYP19A1 (0.44) ALOX15L3MBTL1POLBMAPTKMT2A
SCHEMBL7829292 0.90 ALOX15 (0.42) ALOX15L3MBTL1AKR1C3POLBMAPT
SCHEMBL7830851 0.89 HPGD (0.50) ALOX15L3MBTL1CYP1A2CYP3A4AKR1C3
SCHEMBL7815565 0.88 ALOX15 (0.40) ALOX15L3MBTL1AKR1C3POLBMAPT
SCHEMBL7826331 0.88 MAPT (0.43) ALOX15L3MBTL1CYP1A2CYP3A4AKR1C3
SCHEMBL5514056 0.88 LMNA (0.46) ALOX15L3MBTL1NPC1CYP1A2CYP2D6
SCHEMBL7824951 0.87 PTGER4 (0.42) ALOX15L3MBTL1AKR1C3POLBMAPT
SCHEMBL7816277 0.87 POLB (0.43) ALOX15L3MBTL1AKR1C3POLBMAPT

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