SCHEMBL6800525

SCHEMBL6800525

NS(=O)(=O)Oc1ccc(CNn2cnnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.53
CYP19A1 P11511 5/20 0.50
CA2 P00918 8/20 0.48
CA9 Q16790 7/20 0.48
CA1 P00915 6/20 0.44
CA12 O43570 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL6799582 0.74 STS (0.63) STSCA2CA9CA1CA12
SCHEMBL6799239 0.72 STS (0.61) STSCA2CA9CA1CA12
SCHEMBL2501211 0.70 STS (1.00) STSCA2CA9CA1CA12
SCHEMBL6796502 0.70 CYP2C19 (0.53) CYP19A1POLB
SCHEMBL27878193 0.69 CYP2C19 (0.56)
SCHEMBL7454758 0.69 CA2 (0.58) STSCYP19A1CA2CA9CA1
SCHEMBL6801523 0.67 CA2 (0.66) STSCA2CA9CA1CA12
SCHEMBL3240934 0.66 CYP19A1 (0.71) STSCYP19A1CA2
SCHEMBL6797084 0.64 CA1 (0.67) STSCYP19A1CA2CA9CA1
SCHEMBL5871758 0.64 STS (0.81) STSCA2CA9CA1CA12

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