SCHEMBL13635169

SCHEMBL13635169

O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCc4ccccn4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.60
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GLA P06280 2/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.36
FBP1 P09467 1/20 0.36
NPC1 O15118 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL13635284 0.91 P2RY12 (0.49) P2RY12KMT2AKDM4EALDH1A1GAA
SCHEMBL13635279 0.89 P2RY12 (0.63) P2RY12SMN1; SMN2POLBMAPTFBP1
SCHEMBL13635081 0.89 P2RY12 (0.60) P2RY12KMT2ASMN1; SMN2HTTMAPT
SCHEMBL13635261 0.89 P2RY12 (0.64) P2RY12KMT2AGAASMN1; SMN2MAPT
SCHEMBL13635166 0.88 P2RY12 (0.60) P2RY12KMT2AGAAMAPTMEN1
SCHEMBL13634932 0.88 P2RY12 (0.63) P2RY12KMT2AGAASMN1; SMN2HTT
SCHEMBL13635626 0.88 P2RY12 (0.58) P2RY12KMT2ASMN1; SMN2HTTMAPT
SCHEMBL13635110 0.88 P2RY12 (0.66) P2RY12KMT2AGAASMN1; SMN2HTT
SCHEMBL13635064 0.88 P2RY12 (0.60) P2RY12KMT2ASMN1; SMN2HTTMAPT
SCHEMBL13635624 0.87 P2RY12 (0.60) P2RY12KMT2AALDH1A1SMN1; SMN2HTT

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
EP-1668002-B1 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARM INC (US) 2009-11-11 EP disclosed