SCHEMBL13635176

SCHEMBL13635176

O=C(NS(=O)(=O)c1ccc(Cl)s1)c1ccc(-n2c(=O)[nH]c3cc(NCc4cccc(F)c4F)ccc3c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.54
TP53 P04637 5/20 0.42
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 3/20 0.37
HTR3A P46098 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13635071 0.94 P2RY12 (0.55) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL13635091 0.91 P2RY12 (0.65) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL13635100 0.89 P2RY12 (0.54) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL13635070 0.88 P2RY12 (0.52) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL4418832 0.87 P2RY12 (0.54) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL4415315 0.87 P2RY12 (0.52) P2RY12TP53MAPTRXFP1KMT2A
SCHEMBL13635047 0.85 P2RY12 (0.67) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL13635084 0.85 P2RY12 (0.66) P2RY12TP53MAPTRXFP1KMT2A
SCHEMBL13635177 0.85 P2RY12 (0.57) P2RY12TP53MAPTRXFP1HTR3A
SCHEMBL13635102 0.84 P2RY12 (0.51) P2RY12TP53MAPTRXFP1HTR3A

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