SCHEMBL7011604

SCHEMBL7011604

N=C(N)c1ccc(C(=O)NCCCc2ccc3c(=O)c(C(=O)O)cn(Cc4nccs4)c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.41
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
TOP1 P11387 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
COPS5 Q92905 1/20 0.34
NAMPT P43490 1/20 0.34
PRSS1 P07477 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL7013669 0.95 F10 (0.38) F10F2PLGF7F3
SCHEMBL7008119 0.91 F10 (0.45) F10F2PLGF7F3
SCHEMBL7008013 0.90 F10 (0.39) F10F2COPS5NAMPTPRSS1
SCHEMBL7008407 0.89 F10 (0.38) F10F2PLGF7F3
SCHEMBL7009371 0.87 F10 (0.39) F10F2PLGF7F3
SCHEMBL7006800 0.85 RXFP1 (0.35) F10F2LMNACOPS5NAMPT
SCHEMBL7006078 0.84 F2 (0.41) F10F2PLGF7F3
SCHEMBL7011271 0.81 F10 (0.40) F10F2
SCHEMBL7006567 0.79 PRSS1 (0.33) F10F2PLGF7F3
SCHEMBL7014454 0.77 F10 (0.34) 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 7 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-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