SCHEMBL7111122

SCHEMBL7111122

CC(C)(C#N)NC(=O)C1CC[C@H]2[C@@H]3CCC4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 16/20 0.81
SRD5A2 P31213 9/20 0.81
LMNA P02545 2/20 0.81
CYP3A4 P08684 2/20 0.81
CYP2C9 P11712 2/20 0.81
CYP2C19 P33261 2/20 0.81
ABCC4 O15439 1/20 0.81
ABCB11 O95342 1/20 0.81
ADORA3 P0DMS8 1/20 0.81
CHRM1 P11229 1/20 0.81
HSD3B1 P14060 1/20 0.81
NFKB1 P19838 1/20 0.81
MAPK1 P28482 1/20 0.81
THPO P40225 1/20 0.81
BLM P54132 1/20 0.81

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
SCHEMBL8823373 1.00 SRD5A1 (0.81) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9308483 1.00 SRD5A1 (0.81) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9392064 0.91 SRD5A1 (0.81) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9392054 0.91 SRD5A1 (0.81) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9392051 0.91 SRD5A1 (0.81) SRD5A1SRD5A2LMNACYP3A4CYP2C9
Finasteride SCHEMBL22032590 0.90 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
Finasteride SCHEMBL21969512 0.90 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
Finasteride SCHEMBL5509 0.90 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
Finasteride SCHEMBL22564355 0.90 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
Finasteride SCHEMBL21969513 0.90 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997032589-A1 COMBINATIONS FOR TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 1997-09-12 WO claimed
WO-1997032604-A1 ANTIPROLIFERATIVE COMBINATIONS, CONTAINING RAF-TARGETED OLIGONUCLEOTIDES AND CHEMOTHERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 1997-09-12 WO claimed
EP-0538192-B1 New 17-beta-substituted aza-androstanderivatives CIBA GEIGY AG (CH) 1997-04-23 EP claimed
US-5304562-A Inhibitors of 5-alpha-reductase; treating prostate disorders CIBA-GEIGY CORPORATION (US) 1994-04-19 US claimed
EP-0538192-A1 New 17-beta-substituted aza-androstanderivatives CIBA-GEIGY AG (CH) 1993-04-21 EP claimed
US-20030201208-A1 Dynamic superparamagnetic markers KOCH, MARTIN (DK) 2003-10-30 US disclosed
US-5744460-A SYNERGISTIC OF MIXTURE OF PROTEIN KINASE C-TARGETED ANTISENSE OLIGONUCLEOTIDE AND A CHEMOTHERAPEUTIC AGENT, E.G.VINBLASTINE; SIDE EFFECT REDUCTION; ANTICARCINOGENIC- AND TUMOR AGENTS NOVARTIS CORPORATION (US) 1998-04-28 US disclosed
EP-0538192-B1 New 17-beta-substituted aza-androstanderivatives CIBA GEIGY AG (CH) 1997-04-23 EP disclosed
US-5304562-A Inhibitors of 5-alpha-reductase; treating prostate disorders CIBA-GEIGY CORPORATION (US) 1994-04-19 US disclosed
EP-0538192-A1 New 17-beta-substituted aza-androstanderivatives CIBA-GEIGY AG (CH) 1993-04-21 EP disclosed