SCHEMBL11019101

SCHEMBL11019101

CC(=O)Nc1cccc2c1C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.64
▸ ANPEP P15144 4/20 0.64
▸ AHR P35869 1/20 0.62
▸ MAOA P21397 1/20 0.51
▸ NR1H2 P55055 1/20 0.49
▸ NR1H3 Q13133 1/20 0.49
▸ DDB1 Q16531 1/20 0.47
▸ CRBN Q96SW2 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ CCNE2 O96020 1/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PARP14 Q460N5 1/20 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
SCHEMBL11019049 0.82 AHR (0.53) DPP4ANPEPAHRMAOADDB1
SCHEMBL11018379 0.81 AHR (0.63) DPP4ANPEPAHRMAOADDB1
SCHEMBL11017617 0.80 DPP4 (0.68) DPP4ANPEPAHRNR1H2NR1H3
SCHEMBL11016329 0.79 DPP4 (0.60) DPP4ANPEPAHRNR1H2NR1H3
SCHEMBL11019780 0.79 DPP4 (0.62) DPP4ANPEPAHRMAOANR1H2
SCHEMBL11018214 0.78 DPP4 (0.74) DPP4ANPEPNR1H2NR1H3
SCHEMBL11020919 0.78 DPP4 (0.65) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL10878219 0.77 DPP4 (0.68) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11018850 0.77 DPP4 (0.51) DPP4ANPEPNR1H2NR1H3HSD17B10
SCHEMBL11021461 0.77 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3ALDH1A1

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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