SCHEMBL7006800

SCHEMBL7006800

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.35
COPS5 Q92905 1/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.34
F10 P00742 4/20 0.34
KDM4E B2RXH2 1/20 0.34
F2 P00734 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
NAMPT P43490 1/20 0.34
TP53 P04637 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL7008013 0.95 F10 (0.39) RXFP1COPS5SMN1; SMN2MAPTALDH1A1
SCHEMBL7011271 0.92 F10 (0.40) RXFP1MAPTF10F2ITGB3
SCHEMBL7013669 0.90 F10 (0.38) COPS5LMNAF10F2ST14
SCHEMBL7014454 0.89 F10 (0.34) COPS5F10F2NAMPTITGB3
SCHEMBL7006567 0.87 PRSS1 (0.33) F10F2ST14NAMPT
SCHEMBL7006080 0.86 ITGB3 (0.39) F10F2ITGB3ITGA2B
SCHEMBL7011604 0.85 F10 (0.41) COPS5LMNAF10F2NAMPT
SCHEMBL7008119 0.82 F10 (0.45) LMNAF10F2
SCHEMBL7009371 0.79 F10 (0.39) LMNAF10F2NAMPT
SCHEMBL7011265 0.78 ITGB3 (0.39) LMNAMAPTTSHRITGB3ITGA2B

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