SCHEMBL7008407

SCHEMBL7008407

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.38
F7 P08709 4/20 0.38
F3 P13726 4/20 0.38
F2 P00734 3/20 0.38
PLG P00747 1/20 0.38
TOP1 P11387 3/20 0.36
PRSS1 P07477 3/20 0.34
CXCR4 P61073 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
P2RX3 P56373 1/20 0.32
NAMPT P43490 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM1 P11229 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL7009371 0.95 F10 (0.39) F10F7F3F2PLG
SCHEMBL7006567 0.90 PRSS1 (0.33) F10F7F3F2PLG
SCHEMBL7011604 0.89 F10 (0.41) F10F7F3F2PLG
SCHEMBL7006078 0.88 F2 (0.41) F10F7F3F2PLG
SCHEMBL7013669 0.87 F10 (0.38) F10F7F3F2PLG
SCHEMBL7014454 0.86 F10 (0.34) F10F7F3F2PLG
SCHEMBL7008119 0.85 F10 (0.45) F10F7F3F2PLG
SCHEMBL7008013 0.79 F10 (0.39) F10F2PRSS1ITGB3EGLN1
SCHEMBL7006080 0.78 ITGB3 (0.39) F10F7F3F2PLG
SCHEMBL7006800 0.77 RXFP1 (0.35) F10F2ITGB3NAMPT

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 8 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
US-5519024-A CELL ADHESION INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-21 US claimed
EP-0614664-A1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-14 EP claimed
EP-0614664-B2 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 EP disclosed
EP-0614664-B1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-09-16 EP disclosed
US-5519024-A CELL ADHESION INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-21 US disclosed
EP-0614664-A1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-14 EP disclosed