SCHEMBL9812682

SCHEMBL9812682

CCc1cccc(CC)c1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.62
▸ DPP4 P27487 2/20 0.62
▸ LMNA P02545 2/20 0.60
▸ MAPT P10636 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CA2 P00918 4/20 0.52
▸ CA9 Q16790 4/20 0.52
▸ CA1 P00915 3/20 0.51
▸ CA12 O43570 2/20 0.51
▸ S100A4 P26447 2/20 0.47
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ ALDH1A1 P00352 3/20 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
SCHEMBL11018487 0.87 LMNA (0.50) ANPEPDPP4LMNAMAPTHTT
SCHEMBL9812676 0.80 DPP4 (0.63) ANPEPDPP4LMNAKDM4ECYP1A2
SCHEMBL9806781 0.78 LMNA (0.81) LMNAMAPTKDM4ECYP1A2CYP2C9
SCHEMBL11018579 0.78 DPP4 (0.70) ANPEPDPP4LMNAMAPTHTT
SCHEMBL11018633 0.78 DPP4 (0.70) ANPEPDPP4CRHBPCRHR2
SCHEMBL987346 0.77 DPP4 (0.68) ANPEPDPP4LMNAMAPTHTT
SCHEMBL29382376 0.77 DPP4 (0.68) ANPEPDPP4LMNAMAPTHTT
SCHEMBL11021683 0.77 DPP4 (0.73) ANPEPDPP4LMNAMAPTHTT
SCHEMBL9812635 0.77 DPP4 (0.68) ANPEPDPP4LMNAMAPTHTT
SCHEMBL4375792 0.77 CA1 (0.59) LMNAMAPTKDM4ECYP1A2CYP2C9

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 4 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
EP-0152021-A2 Phthalimide derivatives, their preparation and their use as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1985-08-21 — — EP disclosed
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