SCHEMBL12460733

SCHEMBL12460733

N=C(NC(=O)OCc1ccccc1)c1ccc(OCCCN)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.57
ITGA2B P08514 8/20 0.57
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LTA4H P09960 2/20 0.46
TP53 P04637 1/20 0.46
PARP10 Q53GL7 1/20 0.46
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
EPOR P19235 1/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TPSAB1 Q15661 2/20 0.44

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
SCHEMBL14367308 0.89 L3MBTL1 (0.55) ITGB3ITGA2BMAPTL3MBTL1TP53
SCHEMBL8175391 0.88 ITGB3 (0.49) ITGB3ITGA2BMAPTL3MBTL1TP53
SCHEMBL8174116 0.88 MAPT (0.48) ITGB3ITGA2BMAPTL3MBTL1TP53
SCHEMBL7292456 0.88 HTT (0.52) ITGB3ITGA2BMAPTL3MBTL1LTA4H
SCHEMBL8177159 0.87 ITGB3 (0.51) ITGB3ITGA2BMAPTL3MBTL1TP53
SCHEMBL7302421 0.87 PPARA (0.55) ITGB3ITGA2BMAPTL3MBTL1LTA4H
SCHEMBL8180158 0.87 MAPT (0.49) ITGB3ITGA2BMAPTL3MBTL1TP53
SCHEMBL7302236 0.86 PPARA (0.54) ITGB3ITGA2BMAPTL3MBTL1LTA4H
SCHEMBL7297510 0.86 PPARA (0.54) ITGB3ITGA2BMAPTL3MBTL1LTA4H
SCHEMBL14367515 0.84 ITGB3 (0.61) ITGB3ITGA2BL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed