SCHEMBL7011271

SCHEMBL7011271

N=C(N)c1ccc(C(=O)NCc2ccc3c(=O)c(OC(=O)O)cn(Cc4nccs4)c3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.40
KLKB1 P03952 6/20 0.39
KLK1 P06870 3/20 0.37
TPSAB1 Q15661 1/20 0.35
LOX P28300 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
MAPK8 P45983 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
MAPT P10636 2/20 0.34
SCN3A Q9NY46 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL7006800 0.92 RXFP1 (0.35) F10ITGB3ITGA2BMAPTRXFP1
SCHEMBL7008013 0.91 F10 (0.39) F10ITGB3ITGA2BMAPTRXFP1
SCHEMBL7008119 0.90 F10 (0.45) F10KLKB1KLK1TPSAB1F2
SCHEMBL7006080 0.87 ITGB3 (0.39) F10KLK1ITGB3ITGA2BF2
SCHEMBL7014454 0.87 F10 (0.34) F10MAPK8ITGB3ITGA2BF2
SCHEMBL7006567 0.86 PRSS1 (0.33) F10F2
SCHEMBL7013669 0.82 F10 (0.38) F10F2
SCHEMBL7011604 0.81 F10 (0.41) F10F2
SCHEMBL7011265 0.79 ITGB3 (0.39) ITGB3ITGA2BMAPT
SCHEMBL7009371 0.77 F10 (0.39) F10F2

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-0614664-B2 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 EP claimed
EP-0614664-B1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-09-16 EP claimed