SCHEMBL7014454

SCHEMBL7014454

N=C(N)c1ccc(C(=O)NCCNc2ccc3c(=O)c(OC(=O)O)cn(Cc4nccs4)c3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.34
F2 P00734 4/20 0.34
F7 P08709 2/20 0.33
PLG P00747 1/20 0.33
F3 P13726 1/20 0.33
EGLN1 Q9GZT9 2/20 0.32
NAMPT P43490 1/20 0.32
ADORA2A P29274 1/20 0.32
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
P2RX3 P56373 1/20 0.30
MAPK8 P45983 1/20 0.30
COPS5 Q92905 1/20 0.30
PRSS1 P07477 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
SCHEMBL7006567 0.96 PRSS1 (0.33) F10F2F7PLGF3
SCHEMBL7009371 0.90 F10 (0.39) F10F2F7PLGF3
SCHEMBL7006080 0.90 ITGB3 (0.39) F10F2F7PLGF3
SCHEMBL7006800 0.89 RXFP1 (0.35) F10F2NAMPTITGB3ITGA2B
SCHEMBL7008013 0.87 F10 (0.39) F10F2EGLN1NAMPTITGB3
SCHEMBL7011271 0.87 F10 (0.40) F10F2ITGB3ITGA2BMAPK8
SCHEMBL7008407 0.86 F10 (0.38) F10F2F7PLGF3
SCHEMBL7006078 0.80 F2 (0.41) F10F2F7PLGF3
SCHEMBL7013669 0.79 F10 (0.38) F10F2F7PLGF3
SCHEMBL7011265 0.78 ITGB3 (0.39) ITGB3ITGA2B

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