SCHEMBL22719912

SCHEMBL22719912

CNC(=O)c1ncc(COc2ccc(F)cc2)c2c1OC(C)(C)OC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
MAOB P27338 3/20 0.35
POLB P06746 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
MMP1 P03956 2/20 0.34
TSHR P16473 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL30193078 0.90 KMT2A (0.40) KMT2AALDH1A1MAPK1GAAMAOB
SCHEMBL1503189 0.90 KMT2A (0.40) KMT2AALDH1A1MAPK1GAAMAOB
SCHEMBL22719947 0.89 LMNA (0.46) KMT2AALDH1A1MAPK1GAALMNA
SCHEMBL22738226 0.87 SCN9A (0.38) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL22283910 0.81 ALDH1A1 (0.59) KMT2AALDH1A1MAPK1GAAMAOB
SCHEMBL22719962 0.80 KMT2A (0.41) KMT2AALDH1A1MAPK1GAAMAOB
SCHEMBL22719897 0.80 ALDH1A1 (0.41) KMT2AALDH1A1MAPK1GAAMAOB
SCHEMBL22719950 0.80 MAOB (0.39) KMT2AALDH1A1MAPK1MAOBLMNA
SCHEMBL2147314 0.79 ALDH1A1 (0.41) KMT2AALDH1A1MAPK1MAOBPOLB
SCHEMBL22719910 0.78 ALDH1A1 (0.41) KMT2AALDH1A1MAPK1GAAMAOB

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