SCHEMBL2020254

SCHEMBL2020254

CC(Br)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
LTA4H P09960 2/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
MAOA P21397 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MAOB P27338 1/20 0.40
NISCH Q9Y2I1 1/20 0.40

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
SCHEMBL17911615 0.86 ALDH1A3 (0.41) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL17911612 0.82 MTNR1A (0.40) KDM4EMTNR1AMTNR1BGAAMEN1
SCHEMBL21386784 0.80 KDM4E (0.40) CA4KDM4ELMNAMTNR1AMTNR1B
SCHEMBL27834718 0.80 KDM4E (0.40) CA4KDM4ELMNAMTNR1AMTNR1B
Valine SCHEMBL9182200 0.80 SLC7A5 (0.50) LMNAMTNR1AMTNR1BGAACYP1A2
SCHEMBL57754 0.79 MTNR1A (0.46) CA4KDM4ELMNAMTNR1AMTNR1B
SCHEMBL4065480 0.78 LMNA (0.57) LMNALTA4HGAACYP1A2CYP2C19
SCHEMBL11027708 0.78 L3MBTL1 (0.47) LMNALTA4HTSHRGAAPOLB
SCHEMBL1453272 0.78 CA4 (0.48) CA4KDM4ELMNAMTNR1AMTNR1B
SCHEMBL12394 0.78 KMT2A (0.54) CA4KDM4ELMNAMTNR1AMTNR1B

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 163 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655518-A Isatin derivative and preparation method and application thereof 东南大学 2023-08-29 CN claimed
CN-116640161-A Preparation method of iron-based supermolecular catalyst 天津理工大学 2023-08-25 CN claimed
CN-111320559-A Preparation method of tamsulosin hydrochloride 苏州盛迪亚生物医药有限公司 2020-06-23 CN claimed
CN-108947015-A A kind of heavy metal-polluted method for treating water and its processing system 李海霞 2018-12-07 CN claimed
EP-2247571-B1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIV JAGIELLONSKI (PL) 2014-09-10 EP claimed
US-7296576-B2 Polymers for enhanced solubility of nanomaterials, compositions and methods therefor ZYVEX PERFORMANCE MATERIALS, LLC (US) 2007-11-20 US claimed
US-20060041104-A1 Polymers for enhanced solubility of nanomaterials, compositions and methods therefor ZYVEX CORPORATION (US) 2006-02-23 US claimed
US-5380910-A Dehalogeno coupling IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US claimed
EP-0147044-B1 BENZOFURANCARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM ADRIA LABORATORIES INC. (US) 1990-04-25 EP claimed
CN-116851770-B Method for synthesizing gold nano-particles by utilizing water-soluble alkaline column [5] arene 长江师范学院 2024-09-06 CN disclosed
CN-116851770-A Method for synthesizing gold nano-particles by utilizing water-soluble alkaline column [5] arene 长江师范学院 2023-10-10 CN disclosed
CN-116655518-A Isatin derivative and preparation method and application thereof 东南大学 2023-08-29 CN disclosed
CN-116640161-A Preparation method of iron-based supermolecular catalyst 天津理工大学 2023-08-25 CN disclosed
CN-108884029-B LSD1 inhibitors 米拉蒂医疗股份有限公司 2021-10-26 CN disclosed
EP-0005318-A1 N-Heterocyclyl-4-piperidinamines, methods for their preparation, pharmaceutical compositions comprising them, intermediates therefor, and method for the preparation of the intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-14 EP disclosed
EP-0003257-A1 Combustion resistant aromatic polymers containing char-forming benzyl and/or allyl moieties and a combustion retarding agent THE DOW CHEMICAL COMPANY (US) 1979-08-08 EP disclosed
US-4141893-A Decahydrocyclopent[c]azepines ELI LILLY AND COMPANY (US) 1979-02-27 US disclosed
US-4085281-A ANTIMICROBIALS, HERBICIDES THE DOW CHEMICAL COMPANY (US) 1978-04-18 US disclosed
US-4036862-A FOR POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-4028351-A ALPHA-HALOGEN ALKYL ACETATE, N-SUBSTITUTED-4-PIPERIDONE, ACTIVATED ELEMENTAL ZINC BUSKINE S.A. (CH) 1977-06-07 US disclosed