SCHEMBL22137197

SCHEMBL22137197

Brc1ccc(Nc2ccc(-c3ccccc3)cc2)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ ALK Q9UM73 2/20 0.42
▸ PTGER4 P35408 1/20 0.40
▸ ACP1 P24666 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ TRPM2 O94759 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ AKR1C3 P42330 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ AKR1C2 P52895 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAPKAPK2 P49137 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
SCHEMBL30597412 1.00 ALDH1A1 (0.47) ALDH1A1MAPK1ALKPTGER4ACP1
SCHEMBL26877419 0.92 ALDH1A1 (0.50) ALDH1A1MAPK1ALKPTGER4ACP1
SCHEMBL30675131 0.92 ALDH1A1 (0.50) ALDH1A1MAPK1ALKPTGER4ACP1
SCHEMBL22137198 0.90 CYP2A6 (0.43) ALDH1A1MAPK1ALKACP1PTGDR2
SCHEMBL29366500 0.89 ALDH1A1 (0.47) ALDH1A1MAPK1ALKPTGER4ACP1
SCHEMBL22137199 0.85 ALDH1A1 (0.44) ALDH1A1ALKACP1ABCG2MAPT
SCHEMBL22137201 0.85 ACP1 (0.41) ALDH1A1ALKACP1ABCG2MAPT
SCHEMBL20484337 0.85 ALK (0.46) ALDH1A1MAPK1ALKPTGER4MAPT
SCHEMBL22435802 0.85 ALK (0.46) ALDH1A1MAPK1ALKPTGER4MAPT
SCHEMBL15662804 0.85 ALK (0.46) ALDH1A1MAPK1ALKPTGER4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113039173-B Compound and organic light emitting device using the same 株式会社LG化学 2023-11-14 — — CN disclosed
CN-113039173-A Novel compound and organic light emitting device using the same 株式会社LG化学 2021-06-25 — — CN disclosed
WO-2020185054-A9 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 — — WO disclosed
WO-2020185054-A9 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 — — WO disclosed
WO-2020185054-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-09-17 — — WO disclosed
WO-2020185054-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-09-17 — — WO disclosed
WO-2020130511-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 주식회사 엘지화학 2020-06-25 — — WO disclosed
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