SCHEMBL6806249

SCHEMBL6806249

N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)cc2)c2cccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.57
STS P08842 6/20 0.57
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL6801380 0.88 CYP19A1 (0.62) CYP19A1STSCA1CA2CA9
SCHEMBL6801011 0.88 CYP19A1 (0.61) CYP19A1STSCA1CA2CA9
SCHEMBL6797851 0.88 CYP19A1 (0.67) CYP19A1STSCA1CA2CA9
SCHEMBL6806213 0.84 CYP19A1 (0.61) CYP19A1STSCA1CA2CA9
SCHEMBL6801901 0.84 CYP19A1 (0.56) CYP19A1STSCA1CA2CA9
SCHEMBL6800102 0.82 CYP19A1 (0.60) CYP19A1STSCA1CA2CA9
SCHEMBL27545671 0.82 CYP11B2 (0.42) CYP19A1
SCHEMBL6801145 0.81 GAA (0.54) CYP19A1STSCA1CA2CA9
SCHEMBL6799481 0.81 MAOB (0.56) CYP19A1
SCHEMBL9226442 0.79 CYP11B2 (0.42) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed