SCHEMBL4074343

SCHEMBL4074343

NC(=O)CC1CC=CNC(=O)N1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
CAD P27708 1/20 0.33
ITGB3 P05106 1/20 0.31
ITGB2 P05107 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
ITGA5 P08648 1/20 0.31
ITGB5 P18084 1/20 0.31
ITGAL P20701 1/20 0.31

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
SCHEMBL4073276 0.64 L3MBTL1 (0.33) HSD17B10CADITGB3ITGB2ITGB1
SCHEMBL1744829 0.62 MEN1 (0.30)
SCHEMBL29134462 0.61
SCHEMBL27626627 0.61
SCHEMBL5988758 0.61
SCHEMBL4968607 0.60 ITGB1 (0.37) HSD17B10ITGB3ITGB2ITGB1ITGAV
SCHEMBL2879208 0.60 ALDH1A1 (0.51) HSD17B10ALDH1A1POLBBLM
SCHEMBL23802896 0.59 KDM4E (0.30) HSD17B10ALDH1A1POLBBLM
SCHEMBL23802780 0.59 KDM4E (0.30) HSD17B10ALDH1A1POLBBLM
SCHEMBL4751144 0.58

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
WO-2009049018-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-04-16 WO disclosed