SCHEMBL1287387

SCHEMBL1287387

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

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 16/20 0.57
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ MEP1B Q16820 1/20 0.49

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
SCHEMBL1287330 0.90 MEN1 (0.64) TAS2R14KMT2AMEN1POLB
SCHEMBL1287420 0.85 TRPM8 (0.51) TAS2R14KMT2AMEN1POLB
SCHEMBL1287407 0.84 TAS2R14 (0.81) TAS2R14KMT2AMEN1POLB
SCHEMBL1287314 0.78 MEN1 (0.77) TAS2R14KMT2AMEN1POLB
SCHEMBL1287293 0.77 MEN1 (0.60) TAS2R14KMT2AMEN1POLB
SCHEMBL1287531 0.77 MEN1 (0.50) TAS2R14KMT2AMEN1POLB
SCHEMBL1287284 0.75 MEN1 (0.73) TAS2R14KMT2AMEN1POLB
SCHEMBL1287426 0.74 MEN1 (0.65) TAS2R14KMT2AMEN1POLB
SCHEMBL1287316 0.74 TAS2R14 (0.76) TAS2R14KMT2AMEN1POLB
SCHEMBL1169654 0.74 TAS2R14 (1.00) TAS2R14KMT2AMEN1

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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