SCHEMBL7829922

SCHEMBL7829922

COCOc1ccc(C=O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
MAPT P10636 9/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
PRKDC P78527 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGD P15428 1/20 0.44
LMNA P02545 3/20 0.42
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ERN1 O75460 1/20 0.38
ALDH3A1 P30838 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1647554 0.88 MAPT (0.49) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL4316579 0.87 MAPT (0.48) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL9109238 0.85 MAPT (0.59) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL1572278 0.83 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL14294184 0.82 MAPT (0.54) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL13301370 0.80 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4HSD17B10HPGD
SCHEMBL30178231 0.80 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4HSD17B10HPGD
SCHEMBL21824111 0.79 MAPT (0.44) ALDH1A1MAPTHPGDLMNACYP1A2
SCHEMBL3124016 0.79 ALDH1A1 (0.52) ALDH1A1MAPTHPGDLMNAMAPK1
SCHEMBL6831160 0.79 MAPT (0.55) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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