SCHEMBL1287263

SCHEMBL1287263

COC(=O)c1ccc(CN(CCCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
MAPT P10636 4/20 0.68
TP53 P04637 2/20 0.67
CXCR3 P49682 6/20 0.63
TAS2R14 Q9NYV8 5/20 0.63
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
PTGES O14684 1/20 0.54
TAS2R8 Q9NYW2 1/20 0.54
DAGLA Q9Y4D2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
BMP1 P13497 1/20 0.52

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
SCHEMBL1287503 0.91 TAS2R14 (0.71) POLBMEN1KMT2ACXCR3TAS2R14
SCHEMBL1169742 0.91 TP53 (0.79) POLBMEN1KMT2AMAPTTP53
SCHEMBL1287492 0.91 PSEN1 (0.58) POLBMEN1KMT2AMAPTTP53
SCHEMBL1287296 0.88 MAPT (0.54) POLBMEN1KMT2AMAPTTP53
SCHEMBL1287273 0.88 MEN1 (0.89) POLBMEN1KMT2ATP53CXCR3
SCHEMBL1169305 0.86 TP53 (0.70) POLBMEN1KMT2AMAPTTP53
SCHEMBL1287403 0.86 MEN1 (0.62) POLBMEN1KMT2AMAPTTP53
SCHEMBL1287378 0.86 MEN1 (0.73) POLBMEN1KMT2ATP53CXCR3
SCHEMBL1287414 0.86 TAS2R14 (0.69) POLBMEN1KMT2ACXCR3TAS2R14
SCHEMBL1287336 0.84 MEN1 (0.62) POLBMEN1KMT2AMAPTTP53

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