SCHEMBL7006078

SCHEMBL7006078

N=C(N)c1ccc(C(=O)Nc2ccc3c(=O)c(C(=O)O)cn(Cc4nccs4)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.41
F10 P00742 2/20 0.41
F7 P08709 2/20 0.41
F3 P13726 2/20 0.41
PLG P00747 1/20 0.41
ITGB3 P05106 8/20 0.39
ITGA2B P08514 8/20 0.39
KHK P50053 1/20 0.37
CHRM1 P11229 1/20 0.37
NR3C1 P04150 2/20 0.36
CPT1A P50416 1/20 0.36
LMNA P02545 1/20 0.35

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 0.90 F10 (0.39) F2F10F7F3PLG
SCHEMBL7006080 0.89 ITGB3 (0.39) F2F10F7F3PLG
SCHEMBL7008407 0.88 F10 (0.38) F2F10F7F3PLG
SCHEMBL7008119 0.87 F10 (0.45) F2F10F7F3PLG
SCHEMBL7013669 0.85 F10 (0.38) F2F10F7F3PLG
SCHEMBL7011604 0.84 F10 (0.41) F2F10F7F3PLG
SCHEMBL7005462 0.80 TOP1 (0.42) ITGB3ITGA2BKHK
SCHEMBL7014454 0.80 F10 (0.34) F2F10F7F3PLG
SCHEMBL7006567 0.78 PRSS1 (0.33) F2F10F7F3PLG
SCHEMBL7012555 0.77 LMNA (0.46) CHRM1NR3C1LMNA

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 10 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
US-5889009-A ADMINISTERING 1,7-DISUBSTITUTED-4-OX-3-(QUINOLINECARBOXYLIC ACID OR NAPHTHYRIDINECARBOXYLIC ACID) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-30 US 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-5703081-A CELL ADHESION INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US 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