SCHEMBL27565486

SCHEMBL27565486

NS(=O)(=O)Oc1ccc(-c2ccccc2)cc1.O=[N+]([O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 16/20 0.72
▸ CA9 Q16790 15/20 0.72
▸ CA1 P00915 14/20 0.72
▸ CA12 O43570 5/20 0.55
▸ STS P08842 1/20 0.47
▸ KIF11 P52732 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL27565484 0.88 CA2 (0.78) CA2CA9CA1CA12STS
SCHEMBL4667326 0.86 ALDH1A1 (0.57) CA2CA9CA1CA12STS
SCHEMBL7263619 0.85 CA2 (1.00) CA2CA9CA1CA12STS
Dinitrophenylene SCHEMBL27565505 0.84 CA2 (0.66) CA2CA9CA1CA12STS
SCHEMBL27571950 0.81 CA2 (0.53) CA2CA9CA1CA12STS
SCHEMBL4667729 0.80 CA2 (0.89) CA2CA9CA1CA12STS
SCHEMBL4667738 0.79 CA2 (0.64) CA2CA9CA1CA12STS
Biphenyl SCHEMBL27480125 0.77 ALDH1A1 (0.71) CA2CA1ALDH1A1TDP1
Sulfamide SCHEMBL28235502 0.75 KMT2A (0.61) CA2CA9CA1CA12ALDH1A1
SCHEMBL2501666 0.75 ALDH1A1 (0.56) CA2CA9CA1ALDH1A1TDP1

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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