SCHEMBL13635173

SCHEMBL13635173

O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCc4cc(F)ccc4F)ccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.66
HTR3A P46098 2/20 0.36
NAMPT P43490 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 3/20 0.33
FBP1 P09467 1/20 0.33
MAPT P10636 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CNR1 P21554 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 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
SCHEMBL13635088 0.94 P2RY12 (0.66) P2RY12HTR3ASMN1; SMN2LMNATP53
SCHEMBL13635171 0.93 P2RY12 (0.64) P2RY12HTR3ASMN1; SMN2LMNATP53
SCHEMBL13635047 0.92 P2RY12 (0.67) P2RY12HTR3ASMN1; SMN2LMNATP53
SCHEMBL13635114 0.90 P2RY12 (0.66) P2RY12HTR3ASMN1; SMN2LMNATP53
SCHEMBL13635091 0.89 P2RY12 (0.65) P2RY12HTR3ASMN1; SMN2LMNATP53
SCHEMBL13635164 0.89 P2RY12 (0.67) P2RY12HTR3ANAMPTSMN1; SMN2TP53
SCHEMBL13635281 0.89 P2RY12 (0.68) P2RY12HTR3ASMN1; SMN2LMNATP53
SCHEMBL13635084 0.89 P2RY12 (0.66) P2RY12SMN1; SMN2LMNATP53FBP1
SCHEMBL13635077 0.88 P2RY12 (0.64) P2RY12HTR3ANAMPTSMN1; SMN2LMNA
SCHEMBL13635618 0.88 P2RY12 (0.68) P2RY12HTR3ASMN1; SMN2LMNATP53

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