SCHEMBL23912047

SCHEMBL23912047

Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1cc(-c2cccnc2-c2cccc(-c3ccccc3)c2)cc(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.35
EGLN1 Q9GZT9 2/20 0.34
KMO O15229 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
FEN1 P39748 1/20 0.32
AR P10275 1/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2C19 P33261 3/20 0.32
CLK4 Q9HAZ1 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 2/20 0.32
GRM5 P41594 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIP4K2A P48426 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
SCHEMBL20619418 0.94 PTGS1 (0.37) SQOREGLN1KMOPTGS1PTGS2
SCHEMBL20619416 0.91 SQOR (0.37) SQOREGLN1KMOPTGS1PTGS2
SCHEMBL20620055 0.89 BCHE (0.35) PTGS1PTGS2ALDH1A1LMNAHSD17B10
SCHEMBL20619476 0.89 PTGS1 (0.38) KMOPTGS1PTGS2FEN1ALDH1A1
SCHEMBL23912104 0.88 ADORA1 (0.40) SQORPTGS1PTGS2FEN1ALDH1A1
SCHEMBL23912051 0.88 SQOR (0.38) SQOREGLN1PTGS1PTGS2AR
SCHEMBL23912036 0.87 BCHE (0.33) SQOREGLN1PTGS1PTGS2ALDH1A1
SCHEMBL20619412 0.86 PTGS1 (0.37) SQORPTGS1PTGS2FEN1AR
SCHEMBL20619452 0.85 TDO2 (0.38) PTGS1PTGS2FEN1ALDH1A1HSD17B10
SCHEMBL23912069 0.85 ALDH1A1 (0.37) SQORPTGS1PTGS2FEN1CYP1A2

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
EP-3645522-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-10-13 EP disclosed