SCHEMBL29365303

SCHEMBL29365303

Brc1ccc2oc3ccccc3c2c1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PGAM1 P18669 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CDC14B O60729 2/20 0.40
▸ CDC14A Q9UNH5 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ AHR P35869 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL20828583 1.00 MAOA (0.42) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL3258855 0.80 MAOA (0.45) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL30171325 0.80 MAOA (0.45) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL34463178 0.78 CDC14B (0.48) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL23729718 0.78 MAOA (0.46) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL22884371 0.77 AHR (0.44) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL28549482 0.77 MAOA (0.44) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL20836043 0.77 MAOA (0.49) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL30159932 0.77 AHR (0.44) MAOAKDM4EALDH1A1MAPTHPGD
SCHEMBL20828544 0.76 CDK1 (0.36) MAOAKDM4EALDH1A1MAPTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120118098-A Nitrogen-oxygen-containing heterocyclic compound, organic electroluminescent device and display device 阜阳欣奕华新材料科技股份有限公司 2025-06-10 — — CN disclosed
CN-111655705-B Organometallic compound and organic light emitting device including the same 株式会社LG化学 2023-11-07 — — CN disclosed
CN-112209944-B Nitrogen-containing compound, organic electroluminescent device, and electronic device 陕西莱特光电材料股份有限公司 2022-01-28 — — CN disclosed
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