SCHEMBL4018690

SCHEMBL4018690

NC(=O)CC1CC(=O)c2ccccc2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
CREBBP Q92793 2/20 0.42
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
BRD4 O60885 1/20 0.39
ITGB3 P05106 1/20 0.36
ITGB2 P05107 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA2B P08514 1/20 0.36
ITGA5 P08648 1/20 0.36
ITGB5 P18084 1/20 0.36
ITGAL P20701 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL4018688 1.00 HSD17B10 (0.48) HSD17B10CREBBPALDH1A1POLBBLM
SCHEMBL13960699 1.00 HSD17B10 (0.48) HSD17B10CREBBPALDH1A1POLBBLM
SCHEMBL3123562 0.81 GAA (0.51) HSD17B10CREBBPALDH1A1POLBBLM
SCHEMBL13960685 0.81 PBRM1 (0.38) HSD17B10POLBBLMITGB3ITGB2
SCHEMBL13961367 0.80 HSD17B10 (0.35) HSD17B10
SCHEMBL13960703 0.80 ALDH1A1 (0.39) HSD17B10CREBBPALDH1A1POLBBLM
SCHEMBL13960203 0.80 ACHE (0.35) HSD17B10ALDH1A1POLBBLMITGB3
SCHEMBL13960207 0.80 ALDH1A1 (0.39) HSD17B10CREBBPALDH1A1POLBBLM
SCHEMBL13960694 0.80 SIRT1 (0.40) HSD17B10GAAIDO1
SCHEMBL13960704 0.79 ALDH1A1 (0.39) HSD17B10CREBBPALDH1A1POLBBLM

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
WO-2009015179-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2009015179-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed