SCHEMBL7830535

SCHEMBL7830535

COc1ccc(Cn2nnc(C(=O)O)c2C(=O)c2cc(C)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1C3 P42330 7/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL7825463 0.94 ALOX15 (0.42) ALOX15L3MBTL1AKR1C3MAPTPOLB
SCHEMBL7829292 0.91 ALOX15 (0.42) ALOX15L3MBTL1AKR1C3MAPTPOLB
SCHEMBL7823456 0.90 SMN1; SMN2 (0.44) ALOX15L3MBTL1MAPTPOLBMAPK1
SCHEMBL7825040 0.89 SMN1; SMN2 (0.41) ALOX15L3MBTL1AKR1C3MAPTPOLB
SCHEMBL5514056 0.89 LMNA (0.46) ALOX15L3MBTL1AKR1C3MAPTPOLB
SCHEMBL7816215 0.88 ALOX15 (0.39) ALOX15L3MBTL1AKR1C3MAPTPOLB
SCHEMBL7816277 0.88 POLB (0.43) ALOX15L3MBTL1AKR1C3MAPTPOLB
SCHEMBL7830851 0.88 HPGD (0.50) ALOX15L3MBTL1AKR1C3MAPTALDH1A1
SCHEMBL7824116 0.87 ALOX15 (0.48) ALOX15L3MBTL1AKR1C3MAPTPOLB
SCHEMBL7816327 0.86 UCHL1 (0.44) ALOX15L3MBTL1MAPTPOLBMAPK1

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 3 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-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