SCHEMBL26572253

SCHEMBL26572253

c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4nc(-c5ccccc5)cc(-c5cnc6ccccc6c5)n4)c3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.63
▸ CYP19A1 P11511 2/20 0.49
▸ CYP11B1 P15538 2/20 0.49
▸ CYP11B2 P19099 2/20 0.49
▸ CYP17A1 P05093 1/20 0.49
▸ DHODH Q02127 1/20 0.48
▸ PDGFRB P09619 3/20 0.48
▸ PDGFRA P16234 3/20 0.48
▸ BIRC5 O15392 1/20 0.45
▸ PIK3CD O00329 2/20 0.44
▸ PIK3CA P42336 2/20 0.44
▸ CLK4 Q9HAZ1 2/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ CSNK1G2 P78368 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ MAP4K5 Q9Y4K4 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ PIK3CB P42338 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ PIK3CG P48736 1/20 0.42

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
SCHEMBL26572255 1.00 CYP2A6 (0.63) CYP2A6CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL26572251 0.91 BIRC5 (0.52) CYP2A6PDGFRBPDGFRABIRC5PIK3CD
SCHEMBL17014016 0.88 CYP2A6 (0.56) CYP2A6CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL9957641 0.87 CYP19A1 (0.63) CYP2A6CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL17014061 0.86 CYP2A6 (0.57) CYP2A6CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL19397592 0.86 CYP19A1 (0.61) CYP2A6CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL19397590 0.86 CYP19A1 (0.61) CYP2A6CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL19397372 0.86 CYP19A1 (0.60) CYP2A6CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL19397373 0.86 CYP19A1 (0.60) CYP2A6CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL25722492 0.86 CYP19A1 (0.65) CYP2A6CYP19A1CYP11B1CYP11B2CYP17A1

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-20230337529-A1 ORGANIC LIGHT-EMITTING DEVICE AND COMPOSITION FOR FORMING ORGANIC MATERIAL LAYER LT MATERIALS CO., LTD. (KR) 2023-10-19 — — US disclosed
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