SCHEMBL13633815

SCHEMBL13633815

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(C(C)NCCN(C)C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.37
PTGER3 P43115 5/20 0.32
ATM Q13315 4/20 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
SCHEMBL13638572 0.94 P2RY12 (0.37) P2RY12ATM
SCHEMBL13633779 0.88 P2RY12 (0.36) P2RY12PTGER3
SCHEMBL13633639 0.87 SMN1; SMN2 (0.36) P2RY12
SCHEMBL14200753 0.86 MAPT (0.39) P2RY12PTGER3ATM
SCHEMBL12161540 0.84 P2RY12 (0.40) P2RY12PTGER3
SCHEMBL13638573 0.81 P2RY12 (0.43) P2RY12PTGER3
SCHEMBL12161536 0.81 P2RY12 (0.43) P2RY12PTGER3
SCHEMBL14228353 0.80 P2RY12 (0.42) P2RY12PTGER3
SCHEMBL12161526 0.80 P2RY12 (0.42) P2RY12PTGER3
SCHEMBL9922974 0.79 MAPT (0.39) P2RY12ATM

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