SCHEMBL6178741

SCHEMBL6178741

CC(C)(C)OC(=S)Cc1cccc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
CYP19A1 P11511 1/20 0.40
SLC7A5 Q01650 1/20 0.36
CYP3A4 P08684 3/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
GLS O94925 2/20 0.35
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL6180823 0.81 SLC7A5 (0.45) MAOBMAOACYP19A1SLC7A5CYP1A2
SCHEMBL29185461 0.79 CA12 (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL6178971 0.79 CYP3A4 (0.43) MAOBMAOACYP19A1CYP3A4TP53
SCHEMBL6178783 0.74 MAOB (0.50) MAOBMAOACYP19A1ALDH1A1CA12
SCHEMBL11632694 0.74 CYP3A4 (0.39) MAOBMAOACYP19A1CYP3A4TP53
SCHEMBL7951080 0.73 MAOB (0.55) MAOBMAOACYP19A1CYP3A4GLS
SCHEMBL8115025 0.72 ALDH1A1 (0.41) MAOBMAOACYP19A1CYP3A4GLS
SCHEMBL2229388 0.72 GLS (0.47) MAOBMAOACYP19A1CYP1A2CYP2C19
SCHEMBL7336121 0.72 THRA (0.41) MAOBMAOACYP19A1SLC7A5ALDH1A1
SCHEMBL1178025 0.72 MAOA (0.46) MAOBMAOACYP19A1SLC7A5GLS

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
CN-1130351-C 1,5-benzodiazepine derivatives ZERIA PHARM CO LTD (JP) 2003-12-10 CN disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
CN-1246850-A 1,5-benzodiazepine derivatives ZERIA PHARM CO LTD (JP) 2000-03-08 CN disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed