SCHEMBL7429295

SCHEMBL7429295

N=C(N)c1ccc2ccc(Cn3c(=O)c(C(=O)O)cc4cc(OCc5ccccc5)ccc43)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.59
F2 P00734 8/20 0.51
PRSS1 P07477 5/20 0.50
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
SRD5A2 P31213 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
SLC16A3 O15427 1/20 0.43

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
SCHEMBL7432329 0.95 F10 (0.61) F10F2PRSS1
SCHEMBL7432408 0.91 F10 (0.70) F10F2SRD5A2
SCHEMBL7421334 0.90 F10 (0.58) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7426338 0.87 F10 (0.61) F10F2PRSS1
SCHEMBL7426629 0.85 F10 (0.48) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7429228 0.81 F10 (0.69) F10F2
SCHEMBL7427295 0.80 F10 (0.64) F10F2PRSS1
SCHEMBL7429823 0.80 F10 (0.60) F10F2PRSS1
SCHEMBL6435781 0.79 F10 (0.82) F10F2SRD5A2
SCHEMBL7428529 0.77 F10 (0.51) F10F2PRSS1

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