SCHEMBL6801657

SCHEMBL6801657

CSc1ccc(-c2ccc(OS(N)(=O)=O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.63
CA2 P00918 14/20 0.61
CA9 Q16790 12/20 0.61
CA1 P00915 11/20 0.61
KIF11 P52732 1/20 0.54
CA12 O43570 3/20 0.49

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
SCHEMBL4665396 0.79 CA2 (0.88) STSCA2CA9CA1KIF11
SCHEMBL4668682 0.79 CA2 (0.88) STSCA2CA9CA1KIF11
SCHEMBL4665408 0.79 CA2 (0.68) STSCA2CA9CA1KIF11
SCHEMBL2237481 0.78 CA1 (0.60) STSCA2CA9CA1CA12
SCHEMBL4666147 0.76 CA2 (0.70) STSCA2CA9CA1KIF11
SCHEMBL7263619 0.76 CA2 (1.00) STSCA2CA9CA1KIF11
SCHEMBL4667759 0.75 CA2 (0.88) STSCA2CA9CA1KIF11
SCHEMBL5958927 0.75 CA2 (0.67) CA2CA9CA1KIF11CA12
SCHEMBL6800066 0.75 CA2 (0.68) STSCA2CA9CA1KIF11
SCHEMBL4665386 0.75 CA2 (0.88) STSCA2CA9CA1KIF11

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