SCHEMBL6799997

SCHEMBL6799997

NS(=O)(=O)Oc1ccc(C(=O)N(c2ccc(OS(N)(=O)=O)cc2)c2ccc(OS(N)(=O)=O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STS P08842 14/20 0.62
CA2 P00918 6/20 0.55
CA9 Q16790 6/20 0.55
CA1 P00915 5/20 0.50
CA12 O43570 2/20 0.50

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
SCHEMBL6802989 0.92 STS (0.64) STSCA2CA9CA1CA12
SCHEMBL6801736 0.89 CA1 (0.65) STSCA2CA9CA1CA12
SCHEMBL6802010 0.83 STS (0.60) STSCA2CA9CA1CA12
SCHEMBL6800782 0.80 STS (0.56) STS
SCHEMBL14717706 0.80 STS (0.73) STSCA2CA9CA1CA12
SCHEMBL2501164 0.77 STS (1.00) STSCA2CA9CA1
SCHEMBL6805790 0.77 STS (0.51) STSCA2CA9
SCHEMBL6806168 0.77 STS (0.56) STSCA2CA9CA1CA12
SCHEMBL2237810 0.77 STS (0.57) STSCA2CA9CA1CA12
SCHEMBL9451332 0.76 STS (0.74) STSCA2CA9CA1

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