SCHEMBL7829631

SCHEMBL7829631

CNc1ccc(C(=O)c2nnn(Cc3ccc(OC)cc3)c2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX15 P16050 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGER4 P35408 3/20 0.48
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP19A1 P11511 1/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
SNCA P37840 1/20 0.44

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
SCHEMBL7828179 0.84 AKR1C3 (0.53) AKR1C3MEN1KMT2APTGER4ERCC5
SCHEMBL7829626 0.81 AKR1C3 (0.49) AKR1C3MEN1KMT2AALOX15L3MBTL1
SCHEMBL7827319 0.78 ALOX15 (0.48) AKR1C3MEN1KMT2AALOX15L3MBTL1
SCHEMBL27481611 0.78 MAPT (0.52) AKR1C3MEN1KMT2AALOX15L3MBTL1
SCHEMBL7824962 0.78 AKR1C3 (0.51) AKR1C3MEN1KMT2AL3MBTL1CYP19A1
SCHEMBL7816139 0.77 ALOX15 (0.51) AKR1C3MEN1KMT2AALOX15L3MBTL1
SCHEMBL7830775 0.77 UCHL1 (0.53) AKR1C3MEN1KMT2AALOX15L3MBTL1
SCHEMBL22608343 0.77 CYP19A1 (0.56) AKR1C3MEN1KMT2AALOX15L3MBTL1
SCHEMBL7826324 0.76 MAPT (0.43) AKR1C3MEN1KMT2AALOX15L3MBTL1
SCHEMBL21296940 0.75 MEN1 (0.54) AKR1C3MEN1KMT2AALOX15L3MBTL1

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