SCHEMBL9307530

SCHEMBL9307530

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NC(C)(C)C#N)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.62
SRD5A2 P31213 2/20 0.58
KCNH2 Q12809 2/20 0.55
LMNA P02545 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
ABCC4 O15439 1/20 0.54
ABCB11 O95342 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
HSD3B1 P14060 1/20 0.54
SRD5A1 P18405 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
THPO P40225 1/20 0.54
BLM P54132 1/20 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
SCHEMBL8823391 1.00 AR (0.62) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL9392073 0.91 AR (0.65) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL17471494 0.90 AR (0.67) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL7622136 0.90 AR (0.67) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL7790540 0.90 AR (0.67) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL10521077 0.90 AR (0.67) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL9392043 0.88 AR (0.62) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL6398145 0.86 AR (0.63) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL7621288 0.86 AR (0.62) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL7624022 0.86 AR (0.62) ARSRD5A2KCNH2LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304562-A Inhibitors of 5-alpha-reductase; treating prostate disorders CIBA-GEIGY CORPORATION (US) 1994-04-19 US disclosed