SCHEMBL1287359

SCHEMBL1287359

N#Cc1ccc(CN(CCCc2ccccc2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 17/20 0.83
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
POLB P06746 1/20 0.65
CXCR3 P49682 2/20 0.59
PTGES O14684 2/20 0.57
TAS2R8 Q9NYW2 1/20 0.56

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
SCHEMBL12863428 0.93 TAS2R14 (0.70) TAS2R14MEN1KMT2APOLBCXCR3
SCHEMBL1287508 0.91 MEN1 (0.69) TAS2R14MEN1KMT2APOLBCXCR3
SCHEMBL1278774 0.91 TAS2R14 (1.00) TAS2R14MEN1KMT2ACXCR3PTGES
SCHEMBL1287314 0.91 MEN1 (0.77) TAS2R14MEN1KMT2APOLBCXCR3
SCHEMBL12863426 0.88 POLB (0.64) TAS2R14MEN1KMT2APOLBCXCR3
SCHEMBL1287407 0.85 TAS2R14 (0.81) TAS2R14MEN1KMT2APOLBCXCR3
SCHEMBL1287273 0.85 MEN1 (0.89) TAS2R14MEN1KMT2APOLBCXCR3
SCHEMBL1287512 0.84 CNR2 (0.62) TAS2R14CXCR3PTGESTAS2R8
SCHEMBL1287410 0.83 TAS2R14 (0.72) TAS2R14MEN1KMT2APOLBCXCR3
SCHEMBL1287322 0.82 MEN1 (0.65) 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