SCHEMBL13635180

SCHEMBL13635180

CC(C)Nc1ccc2c(=O)n(-c3ccc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.56
TP53 P04637 4/20 0.42
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 3/20 0.41
HTR3A P46098 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36

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
SCHEMBL13635285 0.91 P2RY12 (0.63) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL13635179 0.90 P2RY12 (0.54) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL13635630 0.88 P2RY12 (0.55) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL13635177 0.87 P2RY12 (0.57) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL6017209 0.85 P2RY12 (0.54) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL13634952 0.85 P2RY12 (0.54) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL13634873 0.84 P2RY12 (0.52) P2RY12TP53MAPTRXFP1SMN1; SMN2
SCHEMBL13635287 0.84 P2RY12 (0.54) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL4415315 0.84 P2RY12 (0.52) P2RY12TP53MAPTRXFP1SMN1; SMN2
SCHEMBL9920071 0.83 P2RY12 (0.53) P2RY12TP53MAPTRXFP1SMN1; SMN2

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