SCHEMBL20153667

SCHEMBL20153667

CCCCCN(c1ccccc1C)c1scc(-c2ccccc2F)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL18458833 0.88 ALDH1A1 (0.33) ALDH1A1MAPK1HSD17B10
SCHEMBL18458448 0.75 MAPT (0.40) ALDH1A1MAPK1HSD17B10
SCHEMBL20153669 0.75 ALDH1A1 (0.35) ALDH1A1HSD17B10
SCHEMBL18458664 0.73 ALDH1A1 (0.35) ALDH1A1MAPK1HSD17B10
SCHEMBL28148660 0.67 ACHE (0.45) ALDH1A1MAPK1HSD17B10
SCHEMBL18458436 0.65 MAPT (0.39) MAPK1HSD17B10
SCHEMBL7760872 0.64 MEN1 (0.38) ALDH1A1TP53MAPK1HSD17B10
SCHEMBL6343725 0.61 ACHE (0.45) ALDH1A1HSD17B10
SCHEMBL25224584 0.61 ALDH1A1 (0.54) ALDH1A1TP53
SCHEMBL2569036 0.60 ADORA1 (0.46) ALDH1A1MAPK1HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018088670-A1 NOVEL COMPOUND, PHOTOSENSITIVE RESIN COMPOSITION INCLUDING SAME, AND COLOR FILTER 삼성에스디아이주식회사 2018-05-17 WO disclosed