SCHEMBL26045573

SCHEMBL26045573

c1cc(-c2cccc3ccccc23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccc4c5ccccc5ccc4c3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ DUSP3 P51452 1/20 0.36
▸ AHR P35869 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ HPRT1 P00492 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33

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
SCHEMBL23224573 0.95 AHR (0.37) CYP1A1CYP1A2CYP1B1DUSP3AHR
SCHEMBL23224570 0.94 CYP1B1 (0.37) CYP1A1CYP1A2CYP1B1DUSP3AHR
SCHEMBL24919120 0.94 AHR (0.40) CYP1A1CYP1A2CYP1B1DUSP3AHR
SCHEMBL24839127 0.93 DUSP3 (0.36) CYP1A1CYP1A2CYP1B1DUSP3AHR
SCHEMBL23239107 0.93 DUSP3 (0.36) CYP1A1CYP1A2CYP1B1DUSP3AHR
SCHEMBL24919273 0.93 MAPT (0.37) CYP1A1CYP1A2CYP1B1DUSP3AHR
SCHEMBL23238915 0.92 CYP1A1 (0.36) CYP1A1CYP1A2CYP1B1DUSP3AHR
SCHEMBL26046002 0.92 AHR (0.36) CYP1A2DUSP3AHRALDH1A1MAPT
SCHEMBL23238557 0.91 AHR (0.38) CYP1A1CYP1A2CYP1B1DUSP3AHR
SCHEMBL18326980 0.91 AHR (0.38) CYP1A1CYP1A2CYP1B1DUSP3AHR

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
WO-2024014934-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE AND DISPLAY DEVICE 삼성에스디아이 주식회사 2024-01-18 — — WO disclosed
WO-2023153905-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2023-08-17 — — WO disclosed
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