SCHEMBL14548902

SCHEMBL14548902

Nc1ccc(N(Cc2ccc(OC(=O)c3ccccc3)c(Br)c2)n2cnnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.52
STS P08842 8/20 0.52

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
SCHEMBL13932224 0.79 CYP19A1 (0.78) CYP19A1STS
SCHEMBL14548949 0.75 CYP19A1 (0.50) CYP19A1STS
SCHEMBL2060153 0.74 CYP19A1 (0.66) CYP19A1STS
SCHEMBL4798869 0.72 CES2 (0.53)
SCHEMBL14548948 0.72 CYP19A1 (0.74) CYP19A1STS
SCHEMBL14548901 0.71 CYP19A1 (0.53) CYP19A1STS
SCHEMBL8443366 0.71 CYP19A1 (0.68) CYP19A1STS
SCHEMBL3236453 0.71 HPGD (0.50)
SCHEMBL14549043 0.70 CYP19A1 (0.71) CYP19A1STS
SCHEMBL10062739 0.68 CYP19A1 (1.00) CYP19A1STS

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
EP-1446388-B1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LTD (GB) 2013-01-09 EP disclosed