SCHEMBL13633797

SCHEMBL13633797

O=C(Nc1ccc(-n2ccc3cc4c(cc3c2=O)SCN4)nc1)NS(=O)(=O)c1ccc(F)s1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.35
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
FBP1 P09467 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
SCHEMBL12161634 0.90 P2RY12 (0.36) P2RY12CA12CA1CA2CA9
SCHEMBL9922863 0.83 P2RY12 (0.35) P2RY12CA12CA1CA2CA9
SCHEMBL9922874 0.82 P2RY12 (0.34) P2RY12CA12CA1CA2CA9
SCHEMBL9922866 0.82 P2RY12 (0.37) P2RY12CA12CA1CA2CA9
SCHEMBL9922864 0.82 P2RY12 (0.37) P2RY12CA12CA1CA2CA9
SCHEMBL9922862 0.81 CHRM5 (0.34) P2RY12CA12CA1CA2CA9
SCHEMBL9922920 0.79 FBP1 (0.40) P2RY12CA12CA1CA2CA9
SCHEMBL9922109 0.78 P2RY12 (0.45) P2RY12CA12CA1CA2CA9
SCHEMBL4690441 0.75 P2RY12 (0.57) P2RY12CA12CA1CA2CA9
SCHEMBL9922703 0.75 FBP1 (0.45) P2RY12CA12CA1CA2CA9

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