SCHEMBL13638711

SCHEMBL13638711

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3CF)c(=O)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.63
ERCC1 P07992 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35
FBP1 P09467 1/20 0.35
MAPT P10636 3/20 0.34
SLC22A12 Q96S37 1/20 0.33
MEN1 O00255 5/20 0.31
KMT2A Q03164 5/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 3/20 0.31
HTT P42858 2/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 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
SCHEMBL9922891 0.90 P2RY12 (0.70) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL9922512 0.90 P2RY12 (0.65) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL9922899 0.89 P2RY12 (0.64) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL9922895 0.88 P2RY12 (0.63) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL9922487 0.85 P2RY12 (0.78) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL9922892 0.84 P2RY12 (0.69) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL13182835 0.84 P2RY12 (0.43) P2RY12ERCC1FEN1ERCC4MAPT
SCHEMBL9923149 0.83 P2RY12 (0.59) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL9922049 0.83 P2RY12 (0.63) P2RY12ERCC1FEN1ERCC4FBP1
SCHEMBL9922877 0.83 P2RY12 (0.58) P2RY12ERCC1FEN1ERCC4FBP1

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
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed