SCHEMBL11018644

SCHEMBL11018644

Cc1cccc(C(C)C)c1N1C(=O)c2cccc(C(N)=O)c2C1=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.57
▸ ANPEP P15144 3/20 0.57
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ TYMS P04818 2/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ PARP1 P09874 1/20 0.39

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
SCHEMBL11019928 0.92 DPP4 (0.67) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11022208 0.89 DPP4 (0.59) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11020131 0.88 DPP4 (0.57) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11016792 0.86 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11016509 0.86 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3KEAP1
SCHEMBL11018659 0.86 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11019249 0.85 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11017325 0.85 DPP4 (0.54) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11021557 0.83 DPP4 (0.54) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11016604 0.83 DPP4 (0.71) DPP4ANPEPNR1H2NR1H3TYMS

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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