SCHEMBL13638636

SCHEMBL13638636

CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4cccs4)cc3I)c(=O)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.48
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 5/20 0.34
ERCC1 P07992 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33
BRD4 O60885 3/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
MAPK1 P28482 2/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 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
SCHEMBL9922991 0.94 P2RY12 (0.51) P2RY12MEN1KMT2ALMNAALDH1A1
SCHEMBL9922986 0.91 P2RY12 (0.51) P2RY12MEN1KMT2ALMNAALDH1A1
SCHEMBL9922980 0.89 P2RY12 (0.47) P2RY12MEN1KMT2ALMNAALDH1A1
SCHEMBL9922982 0.87 P2RY12 (0.52) P2RY12MEN1KMT2ALMNAALDH1A1
SCHEMBL9923173 0.87 P2RY12 (0.64) P2RY12MEN1KMT2ALMNAALDH1A1
SCHEMBL12177673 0.86 P2RY12 (0.52) P2RY12MEN1KMT2AMAPTERCC1
SCHEMBL9922984 0.85 P2RY12 (0.48) P2RY12MEN1KMT2ALMNAALDH1A1
SCHEMBL12177355 0.82 P2RY12 (0.57) P2RY12MEN1KMT2AALDH1A1MAPT
SCHEMBL9922532 0.82 P2RY12 (0.47) P2RY12MEN1KMT2ALMNAALDH1A1
SCHEMBL9922892 0.81 P2RY12 (0.69) P2RY12MEN1KMT2ALMNAALDH1A1

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