SCHEMBL1287440

SCHEMBL1287440

O=C(NCC1CCOCC1)c1ccc(CN(CCCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 15/20 0.75
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
TAS2R14 Q9NYV8 2/20 0.52
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 1/20 0.46

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
SCHEMBL1169453 0.86 CXCR3 (1.00) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287461 0.83 MEN1 (0.60) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287435 0.82 MEN1 (0.66) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287468 0.81 MEN1 (0.64) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287336 0.79 MEN1 (0.62) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1287403 0.79 MEN1 (0.62) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1169626 0.79 CXCR3 (1.00) CXCR3MEN1KMT2ATAS2R14
SCHEMBL1287273 0.79 MEN1 (0.89) CXCR3MEN1KMT2APOLBTAS2R14
SCHEMBL1673402 0.79 CXCR3 (0.61) CXCR3POLBKDM4ELMNAHTT
SCHEMBL15388269 0.79 CXCR3 (0.61) CXCR3POLBKDM4ELMNAHTT

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