SCHEMBL25775018

SCHEMBL25775018

COc1cccc(-c2nc(C)nc(-c3cccc(-c4ccccc4)c3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.57
▸ CYP3A4 P08684 5/20 0.57
▸ CYP2C9 P11712 4/20 0.57
▸ CYP2B6 P20813 3/20 0.57
▸ AHR P35869 2/20 0.57
▸ NR1I3 Q14994 2/20 0.57
▸ VDR P11473 1/20 0.57
▸ NR1H2 P55055 3/20 0.55
▸ NR1H3 Q13133 3/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CLK4 Q9HAZ1 2/20 0.54
▸ DYRK1A Q13627 1/20 0.54
▸ CYP2D6 P10635 4/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TP53 P04637 2/20 0.52
▸ NPC1 O15118 1/20 0.52

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
SCHEMBL25775021 0.88 L3MBTL1 (0.55) CYP1A2CYP3A4CYP2C9CYP2B6AHR
SCHEMBL28315176 0.87 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C9CYP2B6AHR
SCHEMBL29712524 0.87 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C9CYP2B6AHR
SCHEMBL19295116 0.87 L3MBTL1 (0.72) NR1I3L3MBTL1RAB9AMAPT
SCHEMBL19295114 0.87 L3MBTL1 (0.72) NR1I3L3MBTL1RAB9AMAPT
SCHEMBL11978721 0.87 L3MBTL1 (0.72) NR1I3L3MBTL1RAB9AMAPT
SCHEMBL12166266 0.85 L3MBTL1 (0.76) CYP1A2CYP2C9L3MBTL1CYP2C19MAPK1
SCHEMBL19501122 0.85 L3MBTL1 (0.76) CYP1A2CYP2C9L3MBTL1CYP2C19MAPK1
SCHEMBL12166279 0.85 L3MBTL1 (0.69) NR1I3L3MBTL1RAB9AMAPT
SCHEMBL25162530 0.83 L3MBTL1 (0.73) L3MBTL1RAB9AMAPTABCG2

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-20230200227-A1 ORGANIC ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-06-22 — — US disclosed
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