SCHEMBL24586489

SCHEMBL24586489

c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3c5ccccc5c(-c5ccccc5)cc43)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.32
▸ CYP1A1 P04798 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP1B1 Q16678 2/20 0.32
▸ PLA2G2A P14555 2/20 0.31
▸ PLA2G4A P47712 2/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CTNNB1 P35222 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ HPGD P15428 2/20 0.30

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
SCHEMBL24586492 1.00 AHR (0.32) AHRCYP1A1CYP1A2CYP1B1PLA2G2A
SCHEMBL24585791 1.00 AHR (0.32) AHRCYP1A1CYP1A2CYP1B1PLA2G2A
SCHEMBL24585792 0.99 AHR (0.33) AHRCYP1A1CYP1A2CYP1B1PLA2G2A
SCHEMBL24585378 0.99 AHR (0.33) AHRCYP1A1CYP1A2CYP1B1PLA2G2A
SCHEMBL24586713 0.99 AHR (0.33) AHRCYP1A1CYP1A2CYP1B1PLA2G2A
SCHEMBL24585372 0.96 AHR (0.34) AHRCYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL24586628 0.92 CYP1A1 (0.36) CYP1A1CYP1A2CYP1B1ALDH1A1MEN1
SCHEMBL24585472 0.91 CYP11B1 (0.36) CYP1A1CYP1A2CYP1B1ALDH1A1MEN1
SCHEMBL25975403 0.91 GPR84 (0.37) CYP1A1CYP1A2CYP1B1ALDH1A1MEN1
SCHEMBL24585798 0.90 CYP1A1 (0.34) CYP1A1CYP1A2CYP1B1ALDH1A1MEN1

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
EP-4019505-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME, METHOD FOR MANUFACTURING THE SAME AND COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT EMITTING DEVICE LT Materials Co., Ltd. (KR) 2022-06-29 — — EP disclosed
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