SCHEMBL29450784

SCHEMBL29450784

Clc1ccc2oc3ccc(Br)cc3c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 7/20 0.62
▸ GABRP O00591 2/20 0.50
▸ GABRD O14764 2/20 0.50
▸ GABRA1 P14867 2/20 0.50
▸ GABRB1 P18505 2/20 0.50
▸ GABRG2 P18507 2/20 0.50
▸ GABRB3 P28472 2/20 0.50
▸ GABRA5 P31644 2/20 0.50
▸ GABRA3 P34903 2/20 0.50
▸ GABRA2 P47869 2/20 0.50
▸ GABRB2 P47870 2/20 0.50
▸ GABRA4 P48169 2/20 0.50
▸ GABRE P78334 2/20 0.50
▸ GABRA6 Q16445 2/20 0.50
▸ GABRG1 Q8N1C3 2/20 0.50
▸ GABRG3 Q99928 2/20 0.50
▸ GABRQ Q9UN88 2/20 0.50
▸ PIM1 P11309 2/20 0.46
▸ TTR P02766 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44

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
SCHEMBL20982351 1.00 AHR (0.62) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL21651125 0.90 AHR (0.61) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL21756020 0.90 AHR (0.61) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL29591806 0.90 AHR (0.61) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL29976138 0.90 AHR (0.61) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL2521053 0.89 TTR (0.59) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL2282515 0.87 AHR (0.78) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL258689 0.87 PIM1 (0.55) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL15961502 0.85 AHR (0.46) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL1637246 0.82 PIM1 (0.52) AHRGABRPGABRDGABRA1GABRB1

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
CN-119264120-A Compound for organic optoelectronic device, composition for organic optoelectronic device, and display device 三星SDI株式会社 2025-01-07 — — CN disclosed
CN-114144417-A Heterocyclic compound and organic light-emitting element including same LT素材株式会社 2022-03-04 — — CN disclosed
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