SCHEMBL28244504

SCHEMBL28244504

c1ccc2c(c1)Cc1c-2ccc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)c1-c1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.37
▸ PGR P06401 1/20 0.35
▸ TSHR P16473 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ ACHE P22303 4/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ HPGD P15428 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HSD17B10 Q99714 3/20 0.33

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
SCHEMBL28360159 0.90 PNMT (0.40) PNMTTSHRCYP3A4ACHECYP1A2
SCHEMBL827870 0.85 PNMT (0.40) PNMTPGRTSHRCYP3A4ACHE
SCHEMBL5053754 0.84 PNMT (0.44) PNMTPGRTSHRCYP3A4ACHE
SCHEMBL30431311 0.79 CYP1A2 (0.42) TSHRCYP3A4ACHECYP1A2ERBB2
SCHEMBL3658853 0.79 ALOX5 (0.41) PNMTPGRACHEADORA2AADORA1
SCHEMBL30150694 0.78 ADORA2A (0.45) PNMTPGRMAOAADORA2AADORA1
SCHEMBL29766669 0.77 ADORA2A (0.47) PNMTPGRMAOAADORA2AADORA1
SCHEMBL150217 0.77 ADORA2A (0.47) PNMTPGRMAOAADORA2AADORA1
SCHEMBL31258328 0.77 ADORA2A (0.49) PNMTPGRCYP3A4ACHECYP1A2
SCHEMBL29810044 0.76 ACHE (0.47) PNMTTSHRCYP3A4ACHECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118284274-A Charge-transporting varnish 日产化学株式会社 2024-07-02 — — CN disclosed
CN-111836816-B Aniline derivatives and use thereof 日产化学株式会社 2023-12-19 — — CN disclosed
CN-116193960-A Aniline derivatives and use thereof 日产化学工业株式会社 2023-05-30 — — CN disclosed
CN-115000314-A Light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2022-09-02 — — CN disclosed
CN-114621102-A Arylamine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2022-06-14 — — CN disclosed
CN-107665955-B Light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2022-05-13 — — CN disclosed
CN-107275360-B Organic light emitting display device 乐金显示有限公司 2020-10-16 — — CN disclosed
CN-106463636-B Charge-transporting varnish 日产化学工业株式会社 2020-04-03 — — CN disclosed
CN-105392771-B Triphenylamine derivative and its utilization 日产化学工业株式会社 2019-01-15 — — CN disclosed
CN-105324370-B The preparation method of thiophene derivant and its utilization and thiophene derivant 日产化学工业株式会社 2018-09-18 — — CN disclosed
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