SCHEMBL24655322

SCHEMBL24655322

c1ccc(N(c2cccc3c2oc2cc4ccccc4cc23)c2cccc3ccc4ccc5ccccc5c4c23)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.33
▸ AHR P35869 4/20 0.33
▸ FYN P06241 2/20 0.33
▸ CYP1A1 P04798 2/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GLA P06280 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SIGMAR1 Q99720 4/20 0.32
▸ ERBB2 P04626 1/20 0.31

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
SCHEMBL24658001 0.92 CYP1A1 (0.35) CYP1A2AHRFYNCYP1A1MAPK3
SCHEMBL26061497 0.91 CYP1A2 (0.35) CYP1A2AHRFYNCYP1A1HPGD
SCHEMBL26562004 0.90 SIGMAR1 (0.33) CYP1A2AHRCYP1A1HPGDHSD17B10
SCHEMBL24657837 0.88 AHR (0.32) CYP1A2AHRFYNCYP1A1MAPK3
SCHEMBL24656883 0.85 ABCG2 (0.33) CYP1A2AHRFYNCYP1A1MAPK3
SCHEMBL24657569 0.85 ABCG2 (0.33) CYP1A2AHRFYNCYP1A1MAPK3
SCHEMBL22741421 0.85 CYP1A1 (0.32) CYP1A2AHRFYNCYP1A1MAPK3
SCHEMBL23308818 0.84 KDM4E (0.33) CYP1A2HPGDHSD17B10ALDH1A1TDP1
SCHEMBL22739795 0.83 TDP1 (0.33) CYP1A2AHRFYNCYP1A1MAPK3
SCHEMBL25902787 0.83 ALDH1A1 (0.36) CYP1A2AHRFYNCYP1A1ABCG2

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
EP-4243100-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-09-13 — — EP disclosed
WO-2022177374-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-08-25 — — WO disclosed
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