SCHEMBL27565484

SCHEMBL27565484

NS(=O)(=O)Oc1ccc(-c2ccccc2)cc1.O=[N+]([O-])c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 13/20 0.78
▸ CA9 Q16790 13/20 0.78
▸ CA1 P00915 12/20 0.78
▸ CA12 O43570 7/20 0.59
▸ HTT P42858 1/20 0.57
▸ CA14 Q9ULX7 3/20 0.56
▸ STS P08842 2/20 0.52
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CA4 P22748 2/20 0.48
▸ FAAH O00519 1/20 0.48
▸ KIF11 P52732 1/20 0.47
▸ CA3 P07451 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA13 Q8N1Q1 1/20 0.47
▸ CA5B Q9Y2D0 1/20 0.47

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
SCHEMBL4667729 0.94 CA2 (0.89) CA2CA9CA1CA12HTT
Dinitrophenylene SCHEMBL27565505 0.90 CA2 (0.66) CA2CA9CA1CA12HTT
SCHEMBL3519559 0.88 CA2 (1.00) CA2CA9CA1CA12HTT
SCHEMBL27565486 0.88 CA2 (0.72) CA2CA9CA1CA12STS
SCHEMBL4667738 0.85 CA2 (0.64) CA2CA9CA1CA12CA14
SCHEMBL7263619 0.85 CA2 (1.00) CA2CA9CA1CA12STS
SCHEMBL1284365 0.80 HSPB1 (0.61) HTTPOLBMAPK1
SCHEMBL25187033 0.79 MAPK1 (0.74) CA2CA9CA1CA12HTT
SCHEMBL167524 0.79 MAPK1 (0.74) CA2CA9CA1CA12HTT
SCHEMBL28326326 0.78 HTT (0.66) CA2CA9CA1CA12HTT

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
CN-1308297-C Phenyl sulfamate derivs. TEIKOKU HORMONE MFG CO LTD (JP) 2007-04-04 — — CN disclosed
CN-1360570-A Phenyl sulfamate derivs. TEIKOKU HORMONE MFG CO LTD (JP) 2002-07-24 — — CN disclosed
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