SCHEMBL22719905

SCHEMBL22719905

COCCNC(=O)c1ncc(COc2ccc(F)cc2)c(C)c1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.43
EGLN1 Q9GZT9 5/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
EGLN2 Q96KS0 3/20 0.40
GRIN2B Q13224 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL22738288 0.87 GABRA5 (0.42) GABRA5EGLN1NPC1RAB9AMAPT
SCHEMBL1503263 0.85 MMP1 (0.44) EGLN1NPC1RAB9AMAPTALDH1A1
SCHEMBL1503217 0.84 ALDH1A1 (0.43) NPC1RAB9AMAPTL3MBTL1ALDH1A1
SCHEMBL27812971 0.81 NR4A2 (0.46) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL22738236 0.77 EGLN1 (0.39) EGLN1NPC1RAB9AMAPTL3MBTL1
SCHEMBL22719903 0.74 GRIN1 (0.43) EGLN1MAPTALDH1A1EGLN2GRIN2B
SCHEMBL12516713 0.72 FAAH (0.44) MAPTALDH1A1KMT2A
SCHEMBL22719957 0.72 SMN1; SMN2 (0.42) EGLN1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22719954 0.72 ALDH1A1 (0.38) EGLN1ALDH1A1MEN1KMT2A
SCHEMBL1503276 0.72 AR (0.40) EGLN1RAB9AL3MBTL1ALDH1A1MEN1

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