SCHEMBL11018100

SCHEMBL11018100

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)Nc3ccncc3)c2C1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.55
▸ ANPEP P15144 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.45
▸ TYK2 P29597 2/20 0.44
▸ JAK2 O60674 3/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ PRKCI P41743 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL11018033 0.90 DPP4 (0.58) DPP4ANPEPNR1H2NR1H3KMT2A
SCHEMBL11021588 0.89 DPP4 (0.52) DPP4ANPEPALDH1A1NR1H2NR1H3
SCHEMBL11020138 0.88 DPP4 (0.56) DPP4ANPEPALDH1A1NR1H2NR1H3
SCHEMBL11016999 0.86 DPP4 (0.56) DPP4ANPEPALDH1A1NR1H2NR1H3
SCHEMBL11017807 0.84 DPP4 (0.52) DPP4ANPEPNR1H2NR1H3KMT2A
SCHEMBL11021459 0.84 DPP4 (0.52) DPP4ANPEPALDH1A1NR1H2NR1H3
SCHEMBL11021393 0.83 ABCB1 (0.52) DPP4ANPEPALDH1A1KMT2AMEN1
SCHEMBL11018238 0.83 DPP4 (0.51) DPP4ANPEPALDH1A1NR1H2NR1H3
SCHEMBL11020213 0.83 DPP4 (0.53) DPP4ANPEPALDH1A1NR1H2NR1H3
SCHEMBL11017926 0.83 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0059388-B1 IMIDAZODIAZEPINES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-29 — — EP claimed
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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