SCHEMBL26045678

SCHEMBL26045678

c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3c2ccc2c4ccccc4ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.37
▸ CYP1A1 P04798 2/20 0.35
▸ CYP1B1 Q16678 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ DUSP3 P51452 1/20 0.34
▸ AHR P35869 2/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ HPRT1 P00492 2/20 0.32
▸ PLA2G2A P14555 1/20 0.32
▸ PLA2G4A P47712 1/20 0.32

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
SCHEMBL23225327 0.95 HCRTR1 (0.39) HCRTR1CYP1A1CYP1B1CYP1A2DUSP3
SCHEMBL27274191 0.94 HCRTR1 (0.38) HCRTR1CYP1A1CYP1B1CYP1A2DUSP3
SCHEMBL24919284 0.93 HCRTR1 (0.37) HCRTR1CYP1A1CYP1B1CYP1A2DUSP3
SCHEMBL26045752 0.93 CYP1A1 (0.37) HCRTR1CYP1A1CYP1B1CYP1A2DUSP3
SCHEMBL24918803 0.92 HCRTR1 (0.42) HCRTR1CYP1A1CYP1B1CYP1A2DUSP3
SCHEMBL23225127 0.91 HCRTR1 (0.40) HCRTR1CYP1A1CYP1B1CYP1A2DUSP3
SCHEMBL27273433 0.91 CYP1A1 (0.36) HCRTR1CYP1A1CYP1B1CYP1A2DUSP3
SCHEMBL26046433 0.91 AHR (0.39) DUSP3AHRMAPTMEN1KMT2A
SCHEMBL24918691 0.90 HCRTR1 (0.38) HCRTR1CYP1A1CYP1B1CYP1A2DUSP3
SCHEMBL18326954 0.90 CYP1A1 (0.37) HCRTR1CYP1A1CYP1B1DUSP3AHR

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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