SCHEMBL7006567

SCHEMBL7006567

N=C(N)c1ccc(C(=O)NCCCNc2ccc3c(=O)c(OC(=O)O)cn(Cc4nccs4)c3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.33
F10 P00742 6/20 0.33
F2 P00734 4/20 0.33
F7 P08709 2/20 0.33
PLG P00747 1/20 0.33
F3 P13726 1/20 0.33
CXCR4 P61073 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
NAMPT P43490 2/20 0.31
ADORA2A P29274 1/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
TMPRSS6 Q8IU80 2/20 0.31
ST14 Q9Y5Y6 2/20 0.31

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
SCHEMBL7014454 0.96 F10 (0.34) PRSS1F10F2F7PLG
SCHEMBL7008407 0.90 F10 (0.38) PRSS1F10F2F7PLG
SCHEMBL7008013 0.89 F10 (0.39) PRSS1F10F2EGLN1NAMPT
SCHEMBL7006080 0.89 ITGB3 (0.39) PRSS1F10F2F7PLG
SCHEMBL7006800 0.87 RXFP1 (0.35) F10F2NAMPTST14
SCHEMBL7009371 0.86 F10 (0.39) F10F2F7PLGF3
SCHEMBL7011271 0.86 F10 (0.40) F10F2
SCHEMBL7011604 0.79 F10 (0.41) PRSS1F10F2F7PLG
SCHEMBL7006078 0.78 F2 (0.41) F10F2F7PLGF3
SCHEMBL7013669 0.77 F10 (0.38) F10F2F7PLGF3

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