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SCHEMBL1287330

SCHEMBL1287330

Cc1cc(C(=O)O)ccc1CN(CCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.64
▸ KMT2A Q03164 5/20 0.64
▸ POLB P06746 2/20 0.64
▸ TAS2R14 Q9NYV8 14/20 0.57
▸ CXCR3 P49682 1/20 0.57
▸ TP53 P04637 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.47
▸ CNR2 P34972 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
SCHEMBL1287387 0.90 TAS2R14 (0.57) MEN1KMT2APOLBTAS2R14
SCHEMBL1287293 0.87 MEN1 (0.60) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287531 0.86 MEN1 (0.50) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287315 0.84 MEN1 (0.70) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287273 0.84 MEN1 (0.89) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287420 0.83 TRPM8 (0.51) MEN1KMT2APOLBTAS2R14
SCHEMBL1287473 0.82 MEN1 (0.65) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287415 0.80 TP53 (0.61) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287431 0.78 MEN1 (0.65) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287448 0.78 CXCR3 (0.57) 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