SCHEMBL1287453

SCHEMBL1287453

O=C(O)c1ccc(CN(CCCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1F

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 4/20 0.72
▸ MEN1 O00255 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ POLB P06746 1/20 0.63
▸ TAS2R14 Q9NYV8 6/20 0.57
▸ CA12 O43570 2/20 0.52
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ CA4 P22748 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ STAT3 P40763 2/20 0.50
▸ DAGLA Q9Y4D2 1/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ PKM P14618 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 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
SCHEMBL1287448 0.84 CXCR3 (0.57) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1170074 0.84 CXCR3 (1.00) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287315 0.84 MEN1 (0.70) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287273 0.83 MEN1 (0.89) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1170060 0.81 CXCR3 (1.00) CXCR3MEN1KMT2ATAS2R14
SCHEMBL13649481 0.80 MEN1 (0.67) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287284 0.79 MEN1 (0.73) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287378 0.79 MEN1 (0.73) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287426 0.78 MEN1 (0.65) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL11180947 0.78 MEN1 (0.72) CXCR3MEN1KMT2APOLBTAS2R14

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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