SCHEMBL13635164

SCHEMBL13635164

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.67
MAPT P10636 4/20 0.34
TP53 P04637 3/20 0.34
RXFP1 Q9HBX9 2/20 0.34
HSP90AA1 P07900 1/20 0.34
NAMPT P43490 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FBP1 P09467 1/20 0.33
PDPK1 O15530 1/20 0.33
HTR3A P46098 2/20 0.33
RECQL P46063 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CCNT1 O60563 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
SCHEMBL13634811 0.94 P2RY12 (0.66) P2RY12MAPTTP53RXFP1HSP90AA1
SCHEMBL13635083 0.94 P2RY12 (0.66) P2RY12MAPTTP53RXFP1HSP90AA1
SCHEMBL13635618 0.93 P2RY12 (0.68) P2RY12MAPTTP53RXFP1HSP90AA1
SCHEMBL13635114 0.93 P2RY12 (0.66) P2RY12MAPTTP53RXFP1HSP90AA1
SCHEMBL13635072 0.93 P2RY12 (0.64) P2RY12MAPTTP53RXFP1HSP90AA1
SCHEMBL13635281 0.91 P2RY12 (0.68) P2RY12MAPTTP53RXFP1HSP90AA1
SCHEMBL13634834 0.91 P2RY12 (0.62) P2RY12MAPTTP53RXFP1HSP90AA1
SCHEMBL13635048 0.91 P2RY12 (0.64) P2RY12MAPTTP53RXFP1HSP90AA1
SCHEMBL13635077 0.91 P2RY12 (0.64) P2RY12MAPTTP53RXFP1HSP90AA1
SCHEMBL13635059 0.90 P2RY12 (0.61) P2RY12MAPTTP53RXFP1HSP90AA1

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