SCHEMBL1287403

SCHEMBL1287403

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 1/20 0.62
CXCR3 P49682 9/20 0.61
TAS2R14 Q9NYV8 3/20 0.56
TP53 P04637 1/20 0.55
TMEM97 Q5BJF2 4/20 0.53
SIGMAR1 Q99720 4/20 0.53
MCHR1 Q99705 1/20 0.53
MAPT P10636 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
SCHEMBL1287435 0.89 MEN1 (0.66) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287468 0.89 MEN1 (0.64) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287545 0.88 MEN1 (0.59) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287263 0.86 POLB (0.69) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287336 0.85 MEN1 (0.62) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287401 0.83 MEN1 (0.62) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287273 0.83 MEN1 (0.89) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287255 0.81 MEN1 (0.62) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287438 0.81 MEN1 (0.59) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287414 0.81 TAS2R14 (0.69) MEN1KMT2APOLBCXCR3TAS2R14

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