SCHEMBL7013669

SCHEMBL7013669

N=C(N)c1ccc(C(=O)NCCc2ccc3c(=O)c(C(=O)O)cn(Cc4nccs4)c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.38
COPS5 Q92905 1/20 0.37
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
ST14 Q9Y5Y6 1/20 0.35
TOP1 P11387 1/20 0.35
LMNA P02545 1/20 0.35
KRAS P01116 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NAMPT P43490 1/20 0.35
MYC P01106 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
SCHEMBL7011604 0.95 F10 (0.41) F10COPS5F2PLGF7
SCHEMBL7008119 0.92 F10 (0.45) F10F2PLGF7F3
SCHEMBL7006800 0.90 RXFP1 (0.35) F10COPS5F2ST14LMNA
SCHEMBL7009371 0.88 F10 (0.39) F10F2PLGF7F3
SCHEMBL7008407 0.87 F10 (0.38) F10F2PLGF7F3
SCHEMBL7008013 0.86 F10 (0.39) F10COPS5F2NAMPT
SCHEMBL7006078 0.85 F2 (0.41) F10F2PLGF7F3
SCHEMBL7011271 0.82 F10 (0.40) F10F2
SCHEMBL7014454 0.79 F10 (0.34) F10COPS5F2PLGF7
SCHEMBL7006567 0.77 PRSS1 (0.33) F10F2PLGF7F3

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