SCHEMBL6799562

SCHEMBL6799562

N#Cc1ccc(N(C(=O)c2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.63
STS P08842 5/20 0.63
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55

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
SCHEMBL6805790 0.91 STS (0.51) CYP19A1STSCA2CA9
SCHEMBL8446590 0.85 CYP19A1 (0.48) CYP19A1CA1CA2
SCHEMBL6801736 0.82 CA1 (0.65) CYP19A1STSCA1CA2CA9
SCHEMBL6796765 0.80 CYP19A1 (0.56) CYP19A1
SCHEMBL6799571 0.80 CA1 (0.61) CYP19A1STSCA1CA2CA9
SCHEMBL3237255 0.77 CYP19A1 (1.00) CYP19A1STS
SCHEMBL3235244 0.77 CYP19A1 (0.63) CYP19A1STSCA1CA2CA9
SCHEMBL3231622 0.77 CYP19A1 (1.00) CYP19A1STS
SCHEMBL6795598 0.76 MEN1 (0.60) CYP19A1STSCA1CA2CA9
SCHEMBL3237903 0.76 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 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