SCHEMBL4668665

SCHEMBL4668665

N#Cc1cc(C(F)(F)F)ccc1-c1ccc(OS(N)(=O)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STS P08842 8/20 0.68
KIF11 P52732 2/20 0.61
CA2 P00918 5/20 0.57
CA9 Q16790 5/20 0.57
CA1 P00915 4/20 0.57
CYP19A1 P11511 8/20 0.52
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
XDH P47989 1/20 0.41

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
SCHEMBL4667727 0.81 STS (0.75) STSKIF11CA2CA9CA1
SCHEMBL4667745 0.81 STS (1.00) STSKIF11CA2CA9CA1
SCHEMBL4667722 0.79 STS (0.84) STSCA2CA9CA1CYP19A1
SCHEMBL3898071 0.78 ALOX5AP (0.56) STSKIF11ALOX5APFEN1XDH
SCHEMBL4665444 0.77 KIF11 (1.00) STSKIF11CA2CA9CA1
SCHEMBL4665452 0.77 STS (0.68) STSCA2CA9CA1CYP19A1
SCHEMBL4667728 0.76 STS (0.68) STSCA2CA9CA1CYP19A1
SCHEMBL4667754 0.76 STS (0.67) STSCA2CA9CA1CYP19A1
SCHEMBL9451383 0.75 CA2 (1.00) STSKIF11CA2CA9CA1
SCHEMBL5534289 0.74 KIF11 (0.68) STSKIF11CA2CA1XDH

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