SCHEMBL13649481

SCHEMBL13649481

Nc1ccc(CN(CCCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
POLB P06746 2/20 0.67
BACE1 P56817 1/20 0.66
CXCR3 P49682 4/20 0.60
TAS2R14 Q9NYV8 3/20 0.60
CNR2 P34972 5/20 0.58
CNR1 P21554 1/20 0.58
TP53 P04637 1/20 0.53
DAGLA Q9Y4D2 1/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA9 Q16790 2/20 0.52
ALDH1A1 P00352 1/20 0.51
TBXA2R P21731 1/20 0.49
TBXAS1 P24557 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
SCHEMBL1287378 0.87 MEN1 (0.73) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287273 0.87 MEN1 (0.89) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287414 0.85 TAS2R14 (0.69) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL12863426 0.85 POLB (0.64) MEN1KMT2APOLBBACE1CXCR3
SCHEMBL10463637 0.84 MEN1 (0.73) MEN1KMT2APOLBBACE1CXCR3
SCHEMBL10461750 0.83 MEN1 (0.75) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287263 0.82 POLB (0.69) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287301 0.81 MEN1 (1.00) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287315 0.80 MEN1 (0.70) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL6804193 0.80 CNR2 (0.85) MEN1KMT2APOLBBACE1TAS2R14

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-2009124962-A2 SULFONAMIDES MERCK SERONO S.A. (CH) 2009-10-15 WO disclosed