SCHEMBL13638702

SCHEMBL13638702

O=C(Nc1ccc(-n2c(=O)[nH]c3cc(NCC4CC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)C1=CCC(Cl)S1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.38
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
NPY5R Q15761 1/20 0.33
ERCC1 P07992 1/20 0.31
FEN1 P39748 1/20 0.31
ERCC4 Q92889 1/20 0.31
NPY2R P49146 1/20 0.31
GCK P35557 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PIM1 P11309 1/20 0.30

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
SCHEMBL14113770 0.86 P2RY12 (0.37) P2RY12KDM4EHTTKMT2A
SCHEMBL9923147 0.85 P2RY12 (0.54) P2RY12KDM4EHTTNPY5RERCC1
SCHEMBL12177635 0.84 P2RY12 (0.48) P2RY12KDM4EHTTNPY5RERCC1
SCHEMBL12177231 0.83 P2RY12 (0.50) P2RY12KDM4EHTT
SCHEMBL13638508 0.79 P2RY12 (0.33) P2RY12
SCHEMBL9922505 0.78 P2RY12 (0.58) P2RY12ERCC1FEN1ERCC4GCK
SCHEMBL14113677 0.77 P2RY12 (0.44) P2RY12ERCC1FEN1ERCC4GCK
SCHEMBL12177632 0.77 P2RY12 (0.39) P2RY12
SCHEMBL12177237 0.75 P2RY12 (0.49) P2RY12ERCC1FEN1ERCC4GCK
SCHEMBL9922645 0.75 P2RY12 (0.64) P2RY12GCKKMT2A

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