SCHEMBL11018238

SCHEMBL11018238

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.51
▸ ANPEP P15144 2/20 0.51
▸ MAPT P10636 4/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ POLB P06746 4/20 0.42
▸ MITF O75030 1/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 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 0.86 DPP4 (0.56) DPP4ANPEPNPC1RAB9AHTT
SCHEMBL11018033 0.86 DPP4 (0.58) DPP4ANPEPMEN1KMT2APOLB
SCHEMBL11019151 0.85 ANPEP (0.48) DPP4ANPEPSMN1; SMN2
SCHEMBL11018100 0.83 DPP4 (0.55) DPP4ANPEPHTTALDH1A1MEN1
SCHEMBL11017807 0.83 DPP4 (0.52) DPP4ANPEPMEN1KMT2APOLB
SCHEMBL11021393 0.82 ABCB1 (0.52) DPP4ANPEPMAPTNPC1RAB9A
SCHEMBL11021587 0.80 ANPEP (0.48) DPP4ANPEPNPC1RAB9ASMN1; SMN2
SCHEMBL11021461 0.79 DPP4 (0.64) DPP4ANPEPMAPTALDH1A1MEN1
SCHEMBL11017926 0.79 DPP4 (0.64) DPP4ANPEPMAPTMEN1KMT2A
SCHEMBL11018545 0.79 DPP4 (0.57) DPP4ANPEPMAPTHTTALDH1A1

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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