SCHEMBL22719954

SCHEMBL22719954

CNC(=O)c1ncc(COc2ccc(F)cc2)c(CO)c1O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAOB P27338 4/20 0.38
EGLN1 Q9GZT9 3/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MMP1 P03956 1/20 0.36
NR4A2 P43354 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PLK1 P53350 1/20 0.35
PARP10 Q53GL7 1/20 0.35
MAOA P21397 2/20 0.35
GSK3B P49841 1/20 0.35
BACE1 P56817 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
SCHEMBL1503250 0.91 MMP1 (0.39) ALDH1A1GAAMAOBEGLN1KMT2A
SCHEMBL30954811 0.91 MMP1 (0.39) ALDH1A1GAAMAOBEGLN1KMT2A
SCHEMBL1503187 0.87 ALDH1A1 (0.41) ALDH1A1GAAMAOBKMT2AMEN1
SCHEMBL22738236 0.87 EGLN1 (0.39) ALDH1A1EGLN1KMT2AMEN1
SCHEMBL22738288 0.86 GABRA5 (0.42) ALDH1A1GAAEGLN1KMT2AMEN1
SCHEMBL15746710 0.85 NR4A2 (0.45) ALDH1A1GAAMAOBEGLN1MMP1
SCHEMBL22738223 0.85 SCN9A (0.41) MAOBEGLN1MAOA
SCHEMBL22738229 0.84 LMNA (0.50) EGLN1
SCHEMBL22719956 0.84 ALDH1A1 (0.38) ALDH1A1GAAMAOBKMT2AMEN1
SCHEMBL22738219 0.83 EGLN1 (0.41) EGLN1KMT2AMMP1

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-2020237374-A1 PICOLINIC ACID DERIVATIVES AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH ELEVATED CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2020-12-03 WO disclosed
WO-2020237374-A1 PICOLINIC ACID DERIVATIVES AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH ELEVATED CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2020-12-03 WO disclosed