SCHEMBL1287473

SCHEMBL1287473

Cc1cc(CN(CCCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ POLB P06746 1/20 0.65
▸ TAS2R14 Q9NYV8 10/20 0.58
▸ CXCR3 P49682 2/20 0.58
▸ CNR2 P34972 4/20 0.53
▸ TP53 P04637 1/20 0.52
▸ STAT3 P40763 1/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA4 P22748 2/20 0.46
▸ CA9 Q16790 2/20 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
SCHEMBL1287315 0.87 MEN1 (0.70) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287273 0.85 MEN1 (0.89) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287330 0.82 MEN1 (0.64) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287301 0.79 MEN1 (1.00) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287378 0.78 MEN1 (0.73) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287314 0.78 MEN1 (0.77) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287293 0.78 MEN1 (0.60) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287453 0.78 CXCR3 (0.72) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287263 0.78 POLB (0.69) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287431 0.77 MEN1 (0.65) MEN1KMT2APOLBTAS2R14CXCR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012047926-A2 SULFONAMIDE-CONTAINING COMPOUNDS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-04-12 — — WO disclosed
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