SCHEMBL13638539

SCHEMBL13638539

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3cnc4cc(NCC5CC5)ccc4c3=O)c(F)c2)s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.35
MET P08581 3/20 0.34
MAPK14 Q16539 4/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GCK P35557 2/20 0.33
KIT P10721 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
KDR P35968 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL9922944 0.92 P2RY12 (0.42) P2RY12MAPTTP53GCK
SCHEMBL9923187 0.90 P2RY12 (0.37) P2RY12METMAPK14MEN1KMT2A
SCHEMBL12177093 0.89 P2RY12 (0.37) P2RY12METMAPK14MEN1KMT2A
SCHEMBL14113771 0.89 ESR1 (0.36) P2RY12METMAPK14MAPTTP53
SCHEMBL14228581 0.88 P2RY12 (0.42) P2RY12METMAPK14MEN1KMT2A
SCHEMBL12177096 0.87 ATM (0.41) P2RY12MEN1KMT2A
SCHEMBL12177092 0.86 TERT (0.38) P2RY12METMAPK14MAPTMEN1
SCHEMBL14113603 0.85 MET (0.39) METKITKDR
SCHEMBL14228477 0.85 MET (0.39) P2RY12METMAPK14
SCHEMBL9923206 0.84 P2RY12 (0.39) P2RY12MAPTTP53GCK

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