SCHEMBL14548948

SCHEMBL14548948

COc1ccc(CN(c2ccc(N)cc2)n2cnnc2)cc1O

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.74
STS P08842 3/20 0.55
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL2060137 0.85 CYP19A1 (1.00) CYP19A1STS
SCHEMBL14548901 0.80 CYP19A1 (0.53) CYP19A1STSCYP1A2CYP3A4
SCHEMBL14549046 0.79 CYP19A1 (0.72) CYP19A1STS
SCHEMBL13292451 0.78 CYP19A1 (1.00) CYP19A1STS
SCHEMBL14549043 0.76 CYP19A1 (0.71) CYP19A1STS
SCHEMBL13932224 0.75 CYP19A1 (0.78) CYP19A1STS
SCHEMBL14548949 0.74 CYP19A1 (0.50) CYP19A1STS
SCHEMBL8443366 0.72 CYP19A1 (0.68) CYP19A1STS
SCHEMBL14548902 0.72 CYP19A1 (0.52) CYP19A1STS
SCHEMBL2060244 0.72 CYP19A1 (0.77) 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