SCHEMBL11018111

SCHEMBL11018111

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)NCC#N)c2C1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.57
▸ ANPEP P15144 5/20 0.57
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ KEAP1 Q14145 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ BTK Q06187 1/20 0.37
▸ TYMS P04818 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL11021879 0.90 DPP4 (0.61) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11019064 0.88 DPP4 (0.60) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11018535 0.86 DPP4 (0.57) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11020754 0.86 DPP4 (0.57) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11022122 0.86 DPP4 (0.57) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11017368 0.86 DPP4 (0.62) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11018669 0.85 DPP4 (0.56) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11018631 0.85 DPP4 (0.56) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11017926 0.84 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11021461 0.84 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3POLB

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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