SCHEMBL13635284

SCHEMBL13635284

O=C(NS(=O)(=O)c1ccc(Cl)s1)c1ccc(-n2c(=O)[nH]c3cc(NCc4ccccn4)ccc3c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.49
GAA P10253 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 2/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37

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
SCHEMBL13635169 0.91 P2RY12 (0.60) P2RY12GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL4415315 0.89 P2RY12 (0.52) P2RY12GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL13635102 0.87 P2RY12 (0.51) P2RY12GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL13635050 0.86 P2RY12 (0.48) P2RY12GAAKDM4EALDH1A1GLA
SCHEMBL13635071 0.86 P2RY12 (0.55) P2RY12GAAALDH1A1SMN1; SMN2GLA
SCHEMBL4418832 0.84 P2RY12 (0.54) P2RY12GAASMN1; SMN2POLBTP53
SCHEMBL13634873 0.84 P2RY12 (0.52) P2RY12GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL13635629 0.84 P2RY12 (0.52) P2RY12GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL13635177 0.84 P2RY12 (0.57) P2RY12GAASMN1; SMN2POLBTP53
SCHEMBL13635070 0.84 P2RY12 (0.52) P2RY12GAAALDH1A1SMN1; SMN2POLB

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