SCHEMBL22916778

SCHEMBL22916778

N#Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.37
CYP3A4 P08684 5/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 4/20 0.37
CLK4 Q9HAZ1 4/20 0.37
CYP2D6 P10635 4/20 0.37
TSHR P16473 3/20 0.37
CYP2C19 P33261 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP2C9 P11712 1/20 0.37
ABCG2 Q9UNQ0 9/20 0.36
ABCB1 P08183 4/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 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
SCHEMBL27015897 0.99 ABCG2 (0.38) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL27015891 0.98 ABCG2 (0.39) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL27019282 0.96 PTGER4 (0.37) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL27015861 0.96 CYP1A2 (0.40) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL27019190 0.96 CYP1A2 (0.43) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL22243116 0.96 CYP1A2 (0.38) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL27015896 0.95 PTGER4 (0.38) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL27015953 0.95 ABCG2 (0.38) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL20794121 0.95 ABCG2 (0.39) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL22916776 0.95 CYP1A2 (0.39) CYP1A2CYP3A4MEN1ALDH1A1KMT2A

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
US-20230034026-A1 ORGANIC ELECTROLUMINESCENT DEVICE EMITTING GREEN LIGHT SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-02 US disclosed
WO-2021014023-A1 ORGANIC ELECTROLUMINESCENT DEVICE EMITTING GREEN LIGHT CYNORA GMBH (DE) 2021-01-28 WO disclosed