SCHEMBL1287407

SCHEMBL1287407

O=C(O)c1ccc(CN(CCCc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 18/20 0.81
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ POLB P06746 1/20 0.69
▸ CXCR3 P49682 1/20 0.62
▸ PTGES O14684 1/20 0.60

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
SCHEMBL1287314 0.94 MEN1 (0.77) TAS2R14MEN1KMT2APOLBCXCR3
SCHEMBL1287284 0.91 MEN1 (0.73) TAS2R14MEN1KMT2APOLBCXCR3
SCHEMBL1287316 0.90 TAS2R14 (0.76) TAS2R14MEN1KMT2APOLBCXCR3
SCHEMBL1279281 0.90 TAS2R14 (1.00) TAS2R14MEN1KMT2ACXCR3PTGES
SCHEMBL1169654 0.90 TAS2R14 (1.00) TAS2R14MEN1KMT2ACXCR3PTGES
SCHEMBL1287273 0.88 MEN1 (0.89) TAS2R14MEN1KMT2APOLBCXCR3
SCHEMBL1287322 0.87 MEN1 (0.65) TAS2R14MEN1KMT2APOLBCXCR3
SCHEMBL1287426 0.87 MEN1 (0.65) TAS2R14MEN1KMT2APOLBCXCR3
SCHEMBL1615817 0.86 TAS2R14 (1.00) TAS2R14MEN1KMT2ACXCR3PTGES
SCHEMBL1287359 0.85 TAS2R14 (0.83) TAS2R14MEN1KMT2APOLBCXCR3

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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