SCHEMBL11017807

SCHEMBL11017807

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)Nc3ccc(C#N)cc3)c2C1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.52
▸ ANPEP P15144 3/20 0.52
▸ BRD4 O60885 2/20 0.43
▸ CREBBP Q92793 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TAS1R2 Q8TE23 1/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ GRM1 Q13255 2/20 0.40
▸ GRM4 Q14833 2/20 0.40
▸ TMPRSS4 Q9NRS4 1/20 0.40

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
SCHEMBL11020138 0.87 DPP4 (0.56) DPP4ANPEPMEN1POLBKMT2A
SCHEMBL11018033 0.87 DPP4 (0.58) DPP4ANPEPMEN1POLBKMT2A
SCHEMBL11021393 0.85 ABCB1 (0.52) DPP4ANPEPMEN1POLBKMT2A
SCHEMBL11018100 0.84 DPP4 (0.55) DPP4ANPEPMEN1POLBKMT2A
SCHEMBL11018238 0.83 DPP4 (0.51) DPP4ANPEPMEN1POLBKMT2A
SCHEMBL11018111 0.82 DPP4 (0.57) DPP4ANPEPPOLBKMT2ANR1H2
SCHEMBL11021850 0.82 DPP4 (0.52) DPP4ANPEPPOLBNR1H2NR1H3
SCHEMBL11017926 0.80 DPP4 (0.64) DPP4ANPEPMEN1POLBKMT2A
SCHEMBL11021461 0.80 DPP4 (0.64) DPP4ANPEPMEN1POLBKMT2A
SCHEMBL11018545 0.80 DPP4 (0.57) DPP4ANPEPMEN1POLBKMT2A

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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