SCHEMBL22868531

SCHEMBL22868531

c1ccc(-c2cccc(-c3cccc4c3-c3ccc5c(-c6nc(-c7ccccc7)nc(-c7ccc8ccccc8c7)n6)cccc5c3C4(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CHRNA1 P02708 1/20 0.31
▸ CHRNG P07510 1/20 0.31
▸ CHRNB1 P11230 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ CHRND Q07001 1/20 0.31
▸ AURKA O14965 1/20 0.31

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
SCHEMBL23743310 0.90 ALDH1A1 (0.34) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL22868526 0.89 PIM1 (0.36) KDM4EALDH1A1TP53SMN1; SMN2HSD17B10
SCHEMBL22868948 0.87 ALDH1A1 (0.36) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL23743308 0.87 MAPT (0.35) KDM4EALDH1A1TP53SMN1; SMN2HSD17B10
SCHEMBL22868983 0.87 AURKA (0.33) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL22868711 0.85 KDM4E (0.33) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL22868826 0.85 MET (0.34) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL23743317 0.84 SMN1; SMN2 (0.37) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL22868798 0.84 PDK2 (0.34) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL22059123 0.83 HDAC4 (0.37) KDM4EMEN1ALDH1A1TP53CYP1A2

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-20210005822-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-07 — — US disclosed
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