SCHEMBL13635616

SCHEMBL13635616

CC(C)(C)c1ccc(CNc2ccc3c(=O)n(-c4ccc(NC(=O)NS(=O)(=O)c5ccc(Cl)s5)cc4)c(=O)[nH]c3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.62
TP53 P04637 3/20 0.38
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GHSR Q92847 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FBP1 P09467 1/20 0.33
RECQL P46063 1/20 0.33
HSP90AA1 P07900 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CNR1 P21554 1/20 0.33
IDH1 O75874 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL13635109 0.93 P2RY12 (0.62) P2RY12TP53MAPTRXFP1KMT2A
SCHEMBL13635262 0.93 P2RY12 (0.64) P2RY12TP53MAPTRXFP1KMT2A
SCHEMBL13635048 0.93 P2RY12 (0.64) P2RY12TP53MAPTRXFP1KMT2A
SCHEMBL13635072 0.93 P2RY12 (0.64) P2RY12TP53MAPTRXFP1KMT2A
SCHEMBL13635114 0.91 P2RY12 (0.66) P2RY12TP53MAPTRXFP1KMT2A
SCHEMBL13635261 0.91 P2RY12 (0.64) P2RY12TP53MAPTRXFP1KMT2A
SCHEMBL13635056 0.90 P2RY12 (0.61) P2RY12TP53MAPTRXFP1KMT2A
SCHEMBL13635055 0.90 P2RY12 (0.61) P2RY12TP53MAPTRXFP1KMT2A
SCHEMBL13634834 0.90 P2RY12 (0.62) P2RY12TP53MAPTRXFP1KMT2A
SCHEMBL13635159 0.89 P2RY12 (0.60) P2RY12TP53MAPTRXFP1KMT2A

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