SCHEMBL22719903

SCHEMBL22719903

COCCNC(=O)c1ncc(COc2ccc(F)c(Cl)c2)c(CO)c1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
KLKB1 P03952 1/20 0.43
EGLN1 Q9GZT9 3/20 0.41
EGLN2 Q96KS0 1/20 0.38
SCN9A Q15858 3/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SCN5A Q14524 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
CA2 P00918 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL22738285 0.92 MEN1 (0.40) KLKB1EGLN1EGLN2SCN9AMAPT
SCHEMBL22738223 0.88 SCN9A (0.41) EGLN1EGLN2SCN9AMAPTSCN5A
SCHEMBL30954808 0.87 HDAC1 (0.41) EGLN1EGLN2SCN9AMAPTSCN5A
SCHEMBL1503267 0.87 HDAC1 (0.41) EGLN1EGLN2SCN9AMAPTSCN5A
SCHEMBL22738288 0.86 GABRA5 (0.42) GRIN2BEGLN1EGLN2MAPTLMNA
SCHEMBL2220322 0.86 ALDH1A1 (0.40) SCN9AMAPTHTTSCN5AALDH1A1
SCHEMBL22719900 0.84 GRIN1 (0.40) GRIN1GRIN2BEGLN1SCN9ASCN5A
SCHEMBL4304503 0.83 PPARG (0.41) SCN9AMAPTSCN5A
SCHEMBL1503300 0.83 ADAMTS4 (0.37) SCN9AMAPTSCN5ACYP2C19ALDH1A1
SCHEMBL1503299 0.80 SCN9A (0.36) KLKB1SCN9AMAPTSCN5ALMNA

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