SCHEMBL22719922

SCHEMBL22719922

CNC(=O)c1ncc(CNc2ccc(C(F)(F)F)cc2)c2c1OC(C)(C)OC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FRK P42685 1/20 0.40
CAMK2B Q13554 1/20 0.40
CAMK2G Q13555 1/20 0.40
CAMK2D Q13557 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
PTK2 Q05397 5/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
GCGR P47871 3/20 0.36
NTRK1 P04629 2/20 0.35
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
KDR P35968 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2B Q14289 1/20 0.35
NTRK3 Q16288 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
SCHEMBL22719906 0.90 FRK (0.42) FRKCAMK2BCAMK2GCAMK2DALDH1A1
SCHEMBL22738228 0.89 TRPV1 (0.39) FRKCAMK2BCAMK2GCAMK2DNTRK1
SCHEMBL22719950 0.76 MAOB (0.39) ALDH1A1MAPK1KMT2A
SCHEMBL22719912 0.75 KMT2A (0.39) ALDH1A1MAPK1KMT2A
SCHEMBL22719908 0.72 FRK (0.38) FRKCAMK2BCAMK2GCAMK2DGCGR
SCHEMBL22719951 0.72 INSR (0.45) ALDH1A1MAPK1KMT2A
SCHEMBL22738226 0.71 SCN9A (0.38) ALDH1A1MAPK1KMT2A
SCHEMBL22719930 0.70 PPARG (0.39)
SCHEMBL22719901 0.69 EGLN1 (0.35) ALDH1A1MAPK1KMT2AHDAC3HDAC1
SCHEMBL22719899 0.68 ALDH1A1 (0.43) ALDH1A1MAPK1KMT2ABRD4

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