SCHEMBL7424892

SCHEMBL7424892

Cc1c(CC(=O)O)c(=O)n(Cc2ccc(C(=N)N)cc2)c2cc(Oc3cccc(C(=N)N)c3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.53
F2 P00734 8/20 0.53
PRSS1 P07477 3/20 0.53
PLA2G2A P14555 5/20 0.42
YWHAH Q04917 1/20 0.40
PLA2G1B P04054 1/20 0.39
FURIN P09958 1/20 0.39

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
SCHEMBL7430422 0.94 F10 (0.51) F10F2PRSS1PLA2G2A
SCHEMBL7433924 0.94 F10 (0.54) F10F2PRSS1PLA2G2A
SCHEMBL7427399 0.93 F10 (0.65) F10F2PRSS1
SCHEMBL7433846 0.91 F10 (0.51) F10F2PRSS1PLA2G2AYWHAH
SCHEMBL7430190 0.90 F10 (0.55) F10F2PRSS1FURIN
SCHEMBL7428513 0.88 F10 (0.52) F10F2PRSS1PLA2G2A
SCHEMBL7424253 0.85 F10 (0.52) F10F2PRSS1
SCHEMBL7427220 0.84 F10 (0.54) F10F2PRSS1
SCHEMBL7420509 0.83 F10 (0.68) F10F2PRSS1
SCHEMBL7420549 0.74 F2 (0.60) F10F2PRSS1FURIN

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
EP-1107954-A1 2-OXO-$i(2H)-QUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-06-20 EP disclosed
WO-2000012479-A1 2-OXO-2H-QUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-03-09 WO disclosed