SCHEMBL9784342

SCHEMBL9784342

CCCC(c1ccc(C(C)=O)cc1)n1ccnc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 17/20 0.64
CYP3A4 P08684 2/20 0.48
BAZ2B Q9UIF8 1/20 0.48
CYP24A1 Q07973 2/20 0.46

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
SCHEMBL9784409 0.89 CYP17A1 (0.67) CYP17A1CYP24A1
SCHEMBL9784371 0.88 CYP17A1 (0.62) CYP17A1CYP3A4CYP24A1
SCHEMBL9784330 0.88 CYP17A1 (0.62) CYP17A1CYP3A4CYP24A1
SCHEMBL2355906 0.87 CYP17A1 (0.61) CYP17A1CYP3A4CYP24A1
SCHEMBL2351159 0.87 CYP17A1 (0.61) CYP17A1CYP3A4CYP24A1
SCHEMBL2351781 0.86 CYP17A1 (0.60) CYP17A1CYP3A4CYP24A1
SCHEMBL9784364 0.86 CYP17A1 (0.70) CYP17A1CYP24A1
SCHEMBL9784337 0.86 CYP17A1 (0.60) CYP17A1CYP3A4CYP24A1
Hydrochloric Acid SCHEMBL9996065 0.85 CYP17A1 (0.78) CYP17A1CYP3A4
SCHEMBL2352852 0.85 CYP17A1 (0.58) CYP17A1CYP3A4CYP24A1

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-0340153-A1 N-substituted imidazoles, process for their preparation and their use in medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1989-11-02 EP claimed
US-5045558-A Aromatase inhibitors, prevention of estrogen biosynthesis, treatment of breast cancer SCHERING AKTIENGESELLSCHAFT (DE) 1991-09-03 US disclosed
EP-0340153-A1 N-substituted imidazoles, process for their preparation and their use in medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1989-11-02 EP disclosed