SCHEMBL11021529

SCHEMBL11021529

C=CCc1c(C)ccc(C)c1N1C(=O)c2cccc(C(N)=O)c2C1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.45
▸ PARP1 P09874 3/20 0.38
▸ TYMS P04818 3/20 0.38
▸ ANPEP P15144 3/20 0.38
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ AHR P35869 1/20 0.34
▸ GRM1 Q13255 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ ADORA2A P29274 1/20 0.34

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
SCHEMBL11018483 0.90 TYMS (0.43) DPP4TYMSANPEPLMNA
SCHEMBL11017460 0.89 DPP4 (0.42) DPP4TYMSANPEPAHRGRM1
SCHEMBL11019199 0.87 DPP4 (0.41) DPP4TYMSANPEPHTTAHR
SCHEMBL11020324 0.85 DPP4 (0.41) DPP4PARP1TYMSANPEPKEAP1
SCHEMBL11018004 0.84 DPP4 (0.47) DPP4PARP1TYMSANPEPKEAP1
SCHEMBL11019022 0.79 DPP4 (0.43) DPP4ANPEPGRM1GRM4ADORA2A
SCHEMBL11017190 0.76 DPP4 (0.46) DPP4TYMSANPEPLMNAHTT
SCHEMBL11017365 0.75 CTDSP1 (0.43) DPP4TYMSANPEPLMNA
SCHEMBL11017426 0.74 DPP4 (0.66) DPP4PARP1TYMSANPEPKEAP1
SCHEMBL11018644 0.74 DPP4 (0.57) DPP4PARP1TYMSANPEPKEAP1

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-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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