SCHEMBL7008013

SCHEMBL7008013

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.39
F2 P00734 1/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP2D6 P10635 4/20 0.33
CYP2C9 P11712 4/20 0.33
HPGD P15428 4/20 0.33
CYP2C19 P33261 4/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
NAMPT P43490 1/20 0.33
COPS5 Q92905 1/20 0.33
EGLN1 Q9GZT9 2/20 0.33
CYP1A2 P05177 2/20 0.33
PRSS1 P07477 2/20 0.33
IDE P14735 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 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
SCHEMBL7006800 0.95 RXFP1 (0.35) F10F2ALDH1A1KDM4EMAPT
SCHEMBL7011271 0.91 F10 (0.40) F10F2MAPTITGB3ITGA2B
SCHEMBL7011604 0.90 F10 (0.41) F10F2NAMPTCOPS5PRSS1
SCHEMBL7006567 0.89 PRSS1 (0.33) F10F2NAMPTEGLN1PRSS1
SCHEMBL7014454 0.87 F10 (0.34) F10F2NAMPTCOPS5EGLN1
SCHEMBL7013669 0.86 F10 (0.38) F10F2NAMPTCOPS5
SCHEMBL7006080 0.85 ITGB3 (0.39) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7008119 0.81 F10 (0.45) F10F2
SCHEMBL7008407 0.79 F10 (0.38) F10F2NAMPTEGLN1PRSS1
SCHEMBL7009371 0.77 F10 (0.39) F10F2NAMPTEGLN1

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