SCHEMBL13638624

SCHEMBL13638624

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3I)cc(C#N)c2c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.36
IMPDH2 P12268 6/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
CA12 O43570 3/20 0.30
CA9 Q16790 3/20 0.30
KCNA1 Q09470 1/20 0.30
KCNAB1 Q14722 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL14228335 0.92 P2RY12 (0.44) P2RY12IMPDH2
SCHEMBL9922629 0.92 P2RY12 (0.39) P2RY12IMPDH2BRD4CREBBPCA12
SCHEMBL9922586 0.91 P2RY12 (0.40) P2RY12IMPDH2BRD4CREBBPCA12
SCHEMBL9923020 0.88 P2RY12 (0.41) P2RY12IMPDH2BRD4CREBBPCA12
SCHEMBL12160988 0.86 P2RY12 (0.45) P2RY12IMPDH2CA12CA9CA1
SCHEMBL14228642 0.84 P2RY12 (0.35) P2RY12BRD4CREBBP
SCHEMBL9922050 0.84 P2RY12 (0.36) P2RY12IMPDH2BRD4CREBBPCA12
SCHEMBL13638625 0.83 P2RY12 (0.47) P2RY12CA12CA9KCNA1KCNAB1
SCHEMBL12160875 0.83 P2RY12 (0.49) P2RY12IMPDH2
SCHEMBL9922630 0.82 P2RY12 (0.42) P2RY12BRD4CREBBPCA12CA9

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