SCHEMBL1287508

SCHEMBL1287508

N#Cc1ccc(CCCN(Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
POLB P06746 1/20 0.69
TAS2R14 Q9NYV8 15/20 0.69
CXCR3 P49682 1/20 0.63
TBXA2R P21731 1/20 0.51
TBXAS1 P24557 1/20 0.51
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
CNR2 P34972 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL1287359 0.91 TAS2R14 (0.83) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL12863426 0.90 POLB (0.64) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287273 0.88 MEN1 (0.89) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287284 0.86 MEN1 (0.73) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287496 0.85 MEN1 (0.93) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL12863428 0.84 TAS2R14 (0.70) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287395 0.83 MEN1 (0.69) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1287301 0.82 MEN1 (1.00) MEN1KMT2APOLBTAS2R14CXCR3
SCHEMBL1278774 0.82 TAS2R14 (1.00) MEN1KMT2ATAS2R14CXCR3
SCHEMBL1287314 0.81 MEN1 (0.77) MEN1KMT2APOLBTAS2R14CXCR3

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