SCHEMBL4665452

SCHEMBL4665452

N#CCc1ccc(-c2ccc(OS(N)(=O)=O)cc2)c(C#N)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STS P08842 13/20 0.68
CYP19A1 P11511 13/20 0.63
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
CA1 P00915 4/20 0.47
CA12 O43570 2/20 0.39

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
SCHEMBL4666101 0.82 STS (0.58) STSCYP19A1CA2CA9CA1
SCHEMBL4667727 0.81 STS (0.75) STSCYP19A1CA2CA9CA1
SCHEMBL4667745 0.81 STS (1.00) STSCYP19A1CA2CA9CA1
SCHEMBL4667728 0.79 STS (0.68) STSCYP19A1CA2CA9CA1
SCHEMBL4667722 0.79 STS (0.84) STSCYP19A1CA2CA9CA1
SCHEMBL306362 0.78 CYP19A1 (1.00) STSCYP19A1CA2
SCHEMBL4665401 0.77 MMP3 (0.56) STSCYP19A1CA2CA9CA1
SCHEMBL4668665 0.77 STS (0.68) STSCYP19A1CA2CA9CA1
SCHEMBL4667754 0.76 STS (0.67) STSCYP19A1CA2CA9CA1
SCHEMBL4668705 0.74 CA2 (0.54) STSCYP19A1CA2CA9CA1

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-1193250-B1 PHENYL SULFAMATE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2008-06-04 EP disclosed
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