SCHEMBL4667729

SCHEMBL4667729

NS(=O)(=O)Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.89
CA9 Q16790 16/20 0.89
CA1 P00915 15/20 0.89
CA12 O43570 8/20 0.66
CA14 Q9ULX7 5/20 0.62
STS P08842 1/20 0.56
CA4 P22748 2/20 0.53
CA7 P43166 2/20 0.53
CA3 P07451 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
KIF11 P52732 1/20 0.53
HTT P42858 1/20 0.51

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
SCHEMBL3519559 0.94 CA2 (1.00) CA2CA9CA1CA12CA14
SCHEMBL27565484 0.94 CA2 (0.78) CA2CA9CA1CA12CA14
SCHEMBL4667738 0.84 CA2 (0.64) CA2CA9CA1CA12CA14
Dinitrophenylene SCHEMBL27565505 0.83 CA2 (0.66) CA2CA9CA1CA12STS
SCHEMBL4667304 0.82 CA2 (0.65) CA2CA9CA1CA12CA14
SCHEMBL27565486 0.80 CA2 (0.72) CA2CA9CA1CA12STS
SCHEMBL866410 0.79 CA1 (0.71) CA2CA9CA1CA12CA14
SCHEMBL2236145 0.79 CA2 (0.69) CA2CA9CA1CA12CA14
SCHEMBL6806229 0.78 SMN1; SMN2 (0.64) CA2CA9CA1CA12CA14
SCHEMBL4667754 0.78 STS (0.67) CA2CA9CA1CA12CA14

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