SCHEMBL9812679

SCHEMBL9812679

CCc1cccc(CC)c1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.62
DPP4 P27487 2/20 0.62
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CA12 O43570 4/20 0.52
CA9 Q16790 3/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
ALDH1A1 P00352 2/20 0.50
SCN2A Q99250 2/20 0.50
ALOX5 P09917 1/20 0.48
RPS6KA2 Q15349 1/20 0.46
ACHE P22303 1/20 0.45

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
SCHEMBL2820307 0.80 ANPEP (0.63) ANPEPDPP4MAPTCA12CA9
SCHEMBL9468420 0.78 SCN2A (0.74) MAPTL3MBTL1CA12CA9CA1
SCHEMBL987786 0.78 ANPEP (0.70) ANPEPDPP4MAPTLMNAHTT
SCHEMBL29382376 0.77 DPP4 (0.68) ANPEPDPP4MAPTLMNAHTT
SCHEMBL987346 0.77 DPP4 (0.68) ANPEPDPP4MAPTLMNAHTT
SCHEMBL6452471 0.77 ANPEP (1.00) ANPEPDPP4MAPTLMNAHTT
SCHEMBL9812607 0.77 ANPEP (0.68) ANPEPDPP4MAPTLMNAHTT
SCHEMBL10381359 0.77 SCN2A (0.82) MAPTL3MBTL1CA12CA9CA1
SCHEMBL9113889 0.76 CA12 (0.72) MAPTCA12CA9CA1CA2
SCHEMBL6207633 0.76 ALOX5 (0.62) L3MBTL1CA12CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245989-B1 FLUOROPHTHALIMIDES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-07-10 EP disclosed
US-4839378-A FOR CONTROLLING PLANT DISEASES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1989-06-13 US disclosed
EP-0245989-A2 Fluorophthalimides MEIJI SEIKA KABUSHIKI KAISHA (JP) 1987-11-19 EP disclosed