SCHEMBL9022012

SCHEMBL9022012

CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)NC(C)(C)c3cccs3)CC[C@@H]12

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.62
SRD5A2 P31213 2/20 0.56
KCNH2 Q12809 2/20 0.50
LMNA P02545 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ABCC4 O15439 1/20 0.49
ABCB11 O95342 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
HSD3B1 P14060 1/20 0.49
SRD5A1 P18405 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
THPO P40225 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL9022008 1.00 AR (0.62) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL9022545 0.87 AR (0.68) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL9022541 0.87 AR (0.68) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL9023065 0.87 AR (0.53) ARSRD5A2KCNH2
SCHEMBL7622136 0.85 AR (0.67) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL10521077 0.85 AR (0.67) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL7790540 0.85 AR (0.67) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL17471494 0.85 AR (0.67) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL9022198 0.84 SRD5A2 (0.57) SRD5A2SRD5A1
SCHEMBL9022204 0.84 SRD5A2 (0.57) SRD5A2SRD5A1

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