SCHEMBL9022952

SCHEMBL9022952

NC(Cc1cccs1)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
TAAR1 Q96RJ0 1/20 0.45
RAB9A P51151 1/20 0.42
CTSC P53634 6/20 0.42
ADRA2A P08913 3/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
POLB P06746 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KEAP1 Q14145 1/20 0.38
TSHR P16473 1/20 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
SCHEMBL4966557 0.79 CYP2C19 (0.57) CYP2C19TAAR1RAB9ACTSCADRA2A
SCHEMBL24017115 0.79 CYP2C19 (0.55) CYP2C19TAAR1RAB9ACTSCADRA2A
SCHEMBL657170 0.79 CYP2C19 (0.55) CYP2C19TAAR1RAB9ACTSCADRA2A
SCHEMBL24017051 0.79 CYP2C19 (0.55) CYP2C19TAAR1RAB9ACTSCADRA2A
SCHEMBL30846601 0.78 EPHX1 (0.48) TAAR1CTSC
SCHEMBL30846613 0.78 EPHX1 (0.48) TAAR1CTSC
SCHEMBL3289195 0.78 EPHX1 (0.48) TAAR1CTSC
SCHEMBL4971797 0.78 CYP2C19 (0.52) CYP2C19TAAR1CTSC
Hydrochloric Acid SCHEMBL9482622 0.77 EPHX1 (0.47) TAAR1CTSC
SCHEMBL5796511 0.77

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-0484094-B1 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO CO (JP) 1996-06-26 EP disclosed
US-5302621-A Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO COMPANY, LIMITED (JP) 1994-04-12 US disclosed
EP-0484094-A2 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use Sankyo Company Limited (JP) 1992-05-06 EP disclosed