SCHEMBL7829626

SCHEMBL7829626

CNc1ccccc1C(=O)c1nnn(Cc2ccc(OC)cc2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.49
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGER4 P35408 2/20 0.47
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE8B O95263 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL7828177 0.87 AKR1C3 (0.47) AKR1C3ALOX15L3MBTL1PTGER4POLB
SCHEMBL7816139 0.85 ALOX15 (0.51) AKR1C3ALOX15L3MBTL1PTGER4POLB
SCHEMBL7815954 0.82 HPGD (0.50) AKR1C3ALOX15L3MBTL1PTGER4MAPT
SCHEMBL7829631 0.81 AKR1C3 (0.51) AKR1C3ALOX15L3MBTL1PTGER4POLB
SCHEMBL7836319 0.81 ALOX15 (0.48) AKR1C3ALOX15L3MBTL1PTGER4POLB
SCHEMBL7824961 0.80 CYP19A1 (0.46) AKR1C3MAPTCYP1A2SMN1; SMN2NPSR1
SCHEMBL5519388 0.80 POLB (0.52) AKR1C3ALOX15L3MBTL1POLBMAPT
SCHEMBL7826820 0.80 ALOX15 (0.49) AKR1C3ALOX15L3MBTL1PTGER4POLB
SCHEMBL7823476 0.78 HPGD (0.52) AKR1C3ALOX15L3MBTL1PTGER4POLB
SCHEMBL7822920 0.78 AKR1C3 (0.42) AKR1C3ALOX15L3MBTL1PTGER4CYP1A2

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