SCHEMBL27796218

SCHEMBL27796218

Cc1ccc(C(N)=O)c(C)c1-c1c(C)[nH]c(=O)c2c1CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ BRD4 O60885 9/20 0.35
▸ CREBBP Q92793 3/20 0.35
▸ BTK Q06187 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL1160668 0.66 HSD17B10 (0.47) HSD17B10ALOX15MAPK1CASP1CASP7
SCHEMBL27614341 0.65 POLB (0.48) HSD17B10MAPK1MEN1KMT2AMAPT
SCHEMBL14837406 0.65 PARP1 (0.52) HSD17B10ALOX15CASP1CASP7LMNA
SCHEMBL16739249 0.65 HSD17B10 (0.46) HSD17B10ALOX15MAPK1CASP1CASP7
SCHEMBL35787 0.65 HSD17B10 (0.46) HSD17B10ALOX15MAPK1CASP1CASP7
SCHEMBL8708889 0.65 HSD17B10 (0.46) HSD17B10ALOX15MAPK1CASP1CASP7
SCHEMBL35972 0.65 HSD17B10 (0.46) HSD17B10ALOX15MAPK1CASP1CASP7
SCHEMBL919063 0.65 HSD17B10 (0.46) HSD17B10ALOX15MAPK1CASP1CASP7
SCHEMBL5459284 0.65 HSD17B10 (0.46) HSD17B10ALOX15MAPK1CASP1CASP7
SCHEMBL4556902 0.65 HSD17B10 (0.46) HSD17B10ALOX15MAPK1CASP1CASP7

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
CN-1968929-B Substituted tetrahydro-2h-isoquinolin-1-one derivatives, method for the production thereof, and use of the same as medicaments SANOFI AVENTIS DEUTSCHLAND 2010-09-08 — — CN disclosed
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