SCHEMBL22823939

SCHEMBL22823939

N#Cc1ccccc1-c1c2cc3c(cc2c(-c2ccccc2C#N)c2c4cccc5cccc(c12)c54)c1cc2ccccc2c2cccc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
HIF1A Q16665 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CLK1 P49759 2/20 0.38
DYRK1A Q13627 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CYP1A2 P05177 2/20 0.36
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
MCL1 Q07820 1/20 0.35
PTGES O14684 1/20 0.33

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
SCHEMBL17487140 0.96 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL17487136 0.96 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL23081523 0.93 CA1 (0.42) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL22824164 0.89 CA1 (0.40) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL23349024 0.88 CA1 (0.39) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL22824161 0.85 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL22824163 0.84 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL21888314 0.84 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL23081341 0.83 CYP1A2 (0.41) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL17487142 0.83 CLK1 (0.35) ALDH1A1HSD17B10HPGDHIF1ATSHR

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
US-20200403173-A1 ORGANIC LIGHT EMITTING ELEMENT, AND DISPLAY APPARATUS, IMAGE PICKUP APPARATUS, ILLUMINATION APPARATUS, AND MOVING OBJECT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2020-12-24 US disclosed