SCHEMBL7006080

SCHEMBL7006080

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.39
ITGA2B P08514 9/20 0.39
KHK P50053 1/20 0.37
F2 P00734 3/20 0.35
F10 P00742 3/20 0.35
F7 P08709 2/20 0.35
PLG P00747 1/20 0.35
F3 P13726 1/20 0.35
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
PRSS1 P07477 1/20 0.34
ACKR3 P25106 1/20 0.34
PLAU P00749 2/20 0.33
KLK1 P06870 1/20 0.33
KLK5 Q9Y337 1/20 0.33
PLAT P00750 1/20 0.33

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 0.90 F10 (0.34) ITGB3ITGA2BF2F10F7
SCHEMBL7006078 0.89 F2 (0.41) ITGB3ITGA2BKHKF2F10
SCHEMBL7006567 0.89 PRSS1 (0.33) F2F10F7PLGF3
SCHEMBL7011271 0.87 F10 (0.40) ITGB3ITGA2BF2F10KLK1
SCHEMBL7006800 0.86 RXFP1 (0.35) ITGB3ITGA2BF2F10
SCHEMBL7011265 0.81 ITGB3 (0.39) ITGB3ITGA2BKHK
SCHEMBL7009371 0.79 F10 (0.39) F2F10F7PLGF3
SCHEMBL7008407 0.78 F10 (0.38) ITGB3F2F10F7PLG
SCHEMBL7008119 0.76 F10 (0.45) F2F10F7PLGF3
SCHEMBL7013669 0.75 F10 (0.38) F2F10F7PLGF3

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