SCHEMBL1287461

SCHEMBL1287461

O=C(NN1CCOCC1)c1ccc(CN(CCCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 1/20 0.60
CXCR3 P49682 10/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
TAS2R14 Q9NYV8 3/20 0.54
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.48
TBXA2R P21731 1/20 0.46
TBXAS1 P24557 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
SCHEMBL1287440 0.83 CXCR3 (0.75) MEN1KMT2APOLBCXCR3SMN1; SMN2
SCHEMBL1287273 0.81 MEN1 (0.89) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287435 0.80 MEN1 (0.66) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287468 0.79 MEN1 (0.64) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287378 0.79 MEN1 (0.73) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287263 0.79 POLB (0.69) MEN1KMT2APOLBCXCR3SMN1; SMN2
SCHEMBL1673932 0.79 SMN1; SMN2 (0.53) MEN1KMT2ACXCR3SMN1; SMN2TAS2R14
SCHEMBL15388164 0.79 SMN1; SMN2 (0.53) MEN1KMT2ACXCR3SMN1; SMN2TAS2R14
SCHEMBL1287401 0.78 MEN1 (0.62) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287255 0.78 MEN1 (0.62) 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