SCHEMBL9037642

SCHEMBL9037642

CC(C)(C(N)=O)c1ccc(Cl)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
PPARA Q07869 1/20 0.42
DAO P14920 1/20 0.39
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
GSK3B P49841 1/20 0.36
IKBKB O14920 1/20 0.36
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 3/20 0.34
MAPK1 P28482 3/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL27618485 0.78 KMT2A (0.44) KMT2AMAPTDAOLMNATSHR
SCHEMBL6637594 0.74 F2 (0.38) F2PPARADAOLMNATSHR
SCHEMBL10746836 0.73 PPARA (0.50) F2KMT2AMAPTPPARADAO
SCHEMBL803424 0.72 KMT2A (0.38) F2KMT2APPARADAOLMNA
SCHEMBL8471825 0.72 PPARA (0.49) F2KMT2AMAPTPPARADAO
SCHEMBL24346237 0.68 PPARA (0.37) F2KMT2APPARADAOLMNA
SCHEMBL6990461 0.68 TAAR1 (0.39) F2PPARATSHRGSK3BGABBR2
SCHEMBL25907150 0.68 F2 (0.38) F2KMT2AMAPTPPARADAO
SCHEMBL5758336 0.67 MAPT (0.48) F2KMT2AMAPTDAOLMNA
SCHEMBL92875 0.66

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-0690857-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-01-10 EP disclosed
WO-1994013665-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1994-06-23 WO disclosed