SCHEMBL5960000

SCHEMBL5960000

O=C(Nc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1)NS(=O)(=O)c1nn[c]s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.46
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 3/20 0.39
PPARG P37231 1/20 0.39
MAPT P10636 5/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL15233152 0.84 P2RY12 (0.45) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL1548057 0.83 P2RY12 (0.45) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL1548180 0.82 P2RY12 (0.47) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL1548537 0.81 PPARG (0.49) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL2580210 0.81 P2RY12 (0.51) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL9922813 0.80 P2RY12 (0.69) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL2590531 0.79 P2RY12 (0.51) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL14417200 0.79 GAA (0.52) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL1548182 0.78 P2RY12 (0.49) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL1548876 0.78 PPARG (0.57) P2RY12GAANPC1SMN1; SMN2TP53

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-1412364-B1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2006-09-13 EP disclosed