SCHEMBL29809608

SCHEMBL29809608

COc1ccc(OC)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
THRB P10828 1/20 0.54
MAPK1 P28482 2/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
ADRA1A P35348 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
TUBB1 Q9H4B7 3/20 0.50
NFE2L2 Q16236 2/20 0.49
CYP1A1 P04798 3/20 0.48

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
SCHEMBL370408 1.00 CA12 (0.62) CA12CA1CA2CA7CA9
Isopropylamine SCHEMBL28069262 0.90 HTR2A (0.54) CA12CA1CA2CA7CA9
SCHEMBL12656891 0.85 LMNA (0.52) CA12CA1CA2CA7CA9
SCHEMBL19722074 0.83 CYP17A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL1277335 0.83 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL23218 0.83 RAB9A (0.46) CA12CA1CA2CA7CA9
SCHEMBL18355747 0.81 MAPK1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL13785412 0.81 PDE2A (0.47) CA12CA1CA2CA7CA9
SCHEMBL178391 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL18361620 0.81 TUBB1 (0.53) KMT2AMAPTMAPK1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079752-A Preparation method of 1,4,5, 8-tetramethoxynaphthalene compound containing shikonin characteristic side chain and 6-fluoro derivative thereof 2026-05-26 CN disclosed
WO-2025019403-A2 SUBSTITUTED AMINO-PHENYLMETHYLENE-IMIDAZOLONES DWULET GREGORY (US) 2025-01-23 WO disclosed
CN-113728484-B Electrolyte for lithium secondary battery and lithium secondary battery comprising same 株式会社LG新能源 2024-07-12 CN disclosed
CN-117500487-A Dimethoxy phenyl alkylamine activators of serotonin receptors 恩泰奥吉尼克斯生物科学公司 2024-02-02 CN disclosed
CN-113710637-B Preparation method of biaryl phosphine 日本化学工业株式会社 2023-10-24 CN disclosed
CN-110573509-B MLKL inhibitors 北京生命科学研究所 2023-05-26 CN disclosed
CN-115385957-A Linear terphenyl aryl phosphine ligand and transition metal complex thereof 东莞市均成高新材料有限公司 2022-11-25 CN disclosed
CN-115385955-A Tetrabiarylphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN disclosed
CN-115181128-A Phosphine ligand of arylmethyl biaryl and transition metal complex thereof 东莞市均成高新材料有限公司 2022-10-14 CN disclosed
CN-114805013-B Synthesis method of halogenated biaryl compound 江苏欣诺科催化剂有限公司 2022-09-27 CN disclosed
CN-114805013-A Synthesis method of halogenated biaryl compound 江苏欣诺科催化剂有限公司 2022-07-29 CN disclosed