SCHEMBL4667798

SCHEMBL4667798

NS(=O)(=O)Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.54
CA2 P00918 9/20 0.54
CA9 Q16790 8/20 0.54
CA12 O43570 6/20 0.51
CA14 Q9ULX7 5/20 0.51
PDE7A Q13946 1/20 0.45
STS P08842 5/20 0.44
CYP19A1 P11511 3/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
FAAH O00519 1/20 0.42
HSD17B10 Q99714 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
PTGS1 P23219 1/20 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
SCHEMBL4666173 0.81 CYP19A1 (0.55) CA1CA2CA9PDE7ASTS
SCHEMBL4667783 0.80 CA1 (0.56) CA1CA2CA9CA12STS
SCHEMBL4667729 0.77 CA2 (0.89) CA1CA2CA9CA12CA14
SCHEMBL16712983 0.73 ESR2 (0.56) CA1CA2CA9CA12CA14
SCHEMBL11834351 0.73 HSD17B10 (0.53) PDE7AHSD17B10
SCHEMBL27565484 0.72 CA2 (0.78) CA1CA2CA9CA12CA14
SCHEMBL3519559 0.71 CA2 (1.00) CA1CA2CA9CA12CA14
SCHEMBL4667738 0.70 CA2 (0.64) CA1CA2CA9CA12CA14
SCHEMBL27581730 0.69 PDE7A (0.58) CA1CA2CA9CA12CA14
SCHEMBL10221069 0.68 CA1 (0.76) CA1CA2CA9CA12STS

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