SCHEMBL13635630

SCHEMBL13635630

CC(C)CCNc1ccc2c(=O)n(-c3ccc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.55
TP53 P04637 4/20 0.41
RXFP1 Q9HBX9 3/20 0.40
MAPT P10636 1/20 0.39
HTR3A P46098 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.36
ADORA2A P29274 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL13635179 0.92 P2RY12 (0.54) P2RY12TP53RXFP1MAPTHTR3A
SCHEMBL13635177 0.91 P2RY12 (0.57) P2RY12TP53RXFP1MAPTHTR3A
SCHEMBL13635287 0.89 P2RY12 (0.54) P2RY12TP53RXFP1MAPTHTR3A
SCHEMBL13635180 0.88 P2RY12 (0.56) P2RY12TP53RXFP1MAPTHTR3A
SCHEMBL13635285 0.87 P2RY12 (0.63) P2RY12TP53RXFP1MAPTHTR3A
SCHEMBL13635629 0.87 P2RY12 (0.52) P2RY12TP53RXFP1MAPTHTR3A
SCHEMBL13635099 0.87 P2RY12 (0.52) P2RY12TP53RXFP1MAPTHTR3A
SCHEMBL13634873 0.85 P2RY12 (0.52) P2RY12TP53RXFP1MAPTSMN1; SMN2
SCHEMBL4418832 0.85 P2RY12 (0.54) P2RY12TP53RXFP1MAPTHTR3A
SCHEMBL4415315 0.85 P2RY12 (0.52) P2RY12TP53RXFP1MAPTSMN1; 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