SCHEMBL4667326

SCHEMBL4667326

NS(=O)(=O)Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CA2 P00918 13/20 0.57
CA9 Q16790 13/20 0.57
CA1 P00915 12/20 0.57
STS P08842 2/20 0.45
CA12 O43570 3/20 0.45
ADAMTS4 O75173 1/20 0.44
KIF11 P52732 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
SCHEMBL27565486 0.86 CA2 (0.72) ALDH1A1TDP1CA2CA9CA1
SCHEMBL27571950 0.82 CA2 (0.53) ALDH1A1TDP1CA2CA9CA1
SCHEMBL4667304 0.81 CA2 (0.65) ALDH1A1TDP1CA2CA9CA1
SCHEMBL6800974 0.81 ALDH1A1 (0.53) ALDH1A1TDP1CA2CA1CA12
SCHEMBL3335019 0.80 ALDH1A1 (0.69) ALDH1A1TDP1ADAMTS4
SCHEMBL4667266 0.79 CA2 (0.47) ALDH1A1TDP1CA2CA9CA1
SCHEMBL2961408 0.78 ALDH1A1 (0.65) ALDH1A1TDP1
SCHEMBL4667771 0.77 STS (0.67) CA2CA9CA1STSCA12
SCHEMBL10451884 0.77 ALDH1A1 (0.69) ALDH1A1TDP1ADAMTS4
SCHEMBL27565484 0.77 CA2 (0.78) CA2CA9CA1STSCA12

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