SCHEMBL6437501

SCHEMBL6437501

N#Cc1ccc(CC(c2ccc(C#N)cc2)c2ncc[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.41
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL7189941 0.81 CYP19A1 (0.33) CYP19A1
SCHEMBL18930740 0.81 CYP19A1 (0.40) CYP19A1HRH3
SCHEMBL7703943 0.81 CYP19A1 (0.40) CYP19A1HRH3
Hydrochloric Acid SCHEMBL8144367 0.81 CYP19A1 (0.41) CYP19A1HRH3
SCHEMBL8408610 0.81 CYP19A1 (0.54) CYP19A1
Hydrochloric Acid SCHEMBL21144909 0.80 CYP19A1 (0.39) CYP19A1HRH3
Hydrochloric Acid SCHEMBL21144912 0.80 CYP19A1 (0.39) CYP19A1HRH3
SCHEMBL8149818 0.80 EGLN1 (0.35) CYP19A1
SCHEMBL10686017 0.80 CYP19A1 (0.45) CYP19A1
SCHEMBL11223097 0.80 SLC6A4 (0.45) CYP19A1HRH3

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-1492515-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2005-01-05 EP disclosed
WO-2003082254-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed
WO-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed