SCHEMBL9214280

SCHEMBL9214280

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

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.62
SRD5A2 P31213 2/20 0.57
LMNA P02545 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
ABCC4 O15439 1/20 0.55
ABCB11 O95342 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CHRM1 P11229 1/20 0.55
HSD3B1 P14060 1/20 0.55
SRD5A1 P18405 1/20 0.55
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55
THPO P40225 1/20 0.55
BLM P54132 1/20 0.55
KCNH2 Q12809 3/20 0.54

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
SCHEMBL9214265 1.00 AR (0.62) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL9215543 0.91 AR (0.63) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL9215549 0.91 AR (0.63) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL7622136 0.91 AR (0.67) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL17471494 0.91 AR (0.67) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL7790540 0.91 AR (0.67) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL10521077 0.91 AR (0.67) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL9209691 0.85 AR (0.58) ARSRD5A2KCNH2
SCHEMBL9209700 0.85 AR (0.58) ARSRD5A2KCNH2
SCHEMBL6398145 0.84 AR (0.63) ARSRD5A2LMNACYP3A4CYP2C9

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-0468012-B1 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1995-09-20 EP claimed
EP-0468012-B1 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1995-09-20 EP disclosed
US-5155107-A Inhibiting androgen action, anticarcinogenic agents, treating skin disorders, baldness FARMITALIA CARLO ERBA (IT) 1992-10-13 US disclosed
EP-0468012-A1 17-g(b)-SUBSTITUTED-4-AZA-5-g(a)-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1992-01-29 EP disclosed