SCHEMBL13635279

SCHEMBL13635279

O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCc4ccc(F)cn4)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.63
FBP1 P09467 1/20 0.38
HTR3A P46098 2/20 0.35
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE5A O76074 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE1C Q14123 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MAPT P10636 3/20 0.32
TP53 P04637 2/20 0.32
POLB P06746 1/20 0.32
GSAP A4D1B5 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL13635114 0.90 P2RY12 (0.66) P2RY12FBP1HTR3ALMNASMN1; SMN2
SCHEMBL13635169 0.89 P2RY12 (0.60) P2RY12FBP1SMN1; SMN2MAPTTP53
SCHEMBL13635081 0.88 P2RY12 (0.60) P2RY12FBP1HTR3ALMNASMN1; SMN2
SCHEMBL13635281 0.88 P2RY12 (0.68) P2RY12FBP1HTR3ALMNASMN1; SMN2
SCHEMBL13635088 0.88 P2RY12 (0.66) P2RY12FBP1HTR3ALMNASMN1; SMN2
SCHEMBL13635166 0.88 P2RY12 (0.60) P2RY12FBP1MAPTTP53RXFP1
SCHEMBL13635173 0.88 P2RY12 (0.66) P2RY12FBP1HTR3ALMNASMN1; SMN2
SCHEMBL13635061 0.88 P2RY12 (0.61) P2RY12FBP1HTR3AMAPTTP53
SCHEMBL13635110 0.87 P2RY12 (0.66) P2RY12FBP1HTR3ALMNASMN1; SMN2
SCHEMBL13635624 0.86 P2RY12 (0.60) P2RY12FBP1HTR3ALMNASMN1; 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