SCHEMBL13634834

SCHEMBL13634834

O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCc4ccc(Cl)c(Cl)c4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.62
TP53 P04637 4/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
FBP1 P09467 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 1/20 0.33
ENPP2 Q13822 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
SCHEMBL13635048 0.92 P2RY12 (0.64) P2RY12TP53HSP90AA1MAPTRXFP1
SCHEMBL13635072 0.92 P2RY12 (0.64) P2RY12TP53HSP90AA1MAPTRXFP1
SCHEMBL13635164 0.91 P2RY12 (0.67) P2RY12TP53HSP90AA1MAPTRXFP1
SCHEMBL13635114 0.91 P2RY12 (0.66) P2RY12TP53HSP90AA1MAPTRXFP1
SCHEMBL13635262 0.91 P2RY12 (0.64) P2RY12TP53MAPTRXFP1MEN1
SCHEMBL13635261 0.91 P2RY12 (0.64) P2RY12TP53HSP90AA1MAPTRXFP1
SCHEMBL13635056 0.90 P2RY12 (0.61) P2RY12TP53HSP90AA1MAPTRXFP1
SCHEMBL13635059 0.90 P2RY12 (0.61) P2RY12TP53HSP90AA1MAPTRXFP1
SCHEMBL13635110 0.90 P2RY12 (0.66) P2RY12TP53HSP90AA1MAPTRXFP1
SCHEMBL13635616 0.90 P2RY12 (0.62) P2RY12TP53HSP90AA1MAPTRXFP1

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