SCHEMBL5872085

SCHEMBL5872085

OC(O)c1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
KCNH2 Q12809 1/20 0.41
C1S P09871 1/20 0.40
PARP1 P09874 1/20 0.40
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL31476387 0.85 IDO1 (0.47) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL5911692 0.85 CYP3A4 (0.47) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL5773097 0.85 CYP3A4 (0.47) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL241692 0.85 IDO1 (0.47) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL27689825 0.83 IDO1 (0.46) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL15456282 0.83 IDO1 (0.46) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL6204787 0.81 IDO1 (0.44) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL1285074 0.81 MEN1 (0.47) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL20612473 0.81 IDO1 (0.48) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL20764854 0.81 IDO1 (0.44) IDO1TDO2ALDH1A1MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102140088-A New process for synthesizing 3-bromobenzaldehyde acetal WUHAN ZHENGQINHE ENVIRONMENTAL PROT TECHNOLOGY CO LTD 2011-08-03 CN claimed
EP-0289669-B1 PROCESS FOR PREPARING 3-PHENOXYBENZALDEHYDES HARDWICKE CHEMICAL COMPANY (US) 1992-04-01 EP claimed
EP-0289669-A1 Process for preparing 3-phenoxybenzaldehydes HARDWICKE CHEMICAL COMPANY (US) 1988-11-09 EP claimed
US-4691033-A Process for preparing 3-phenoxybenzaldehydes HARDWICKE CHEMICAL COMPANY (US) 1987-09-01 US claimed
CN-105792832-B Organic compounds for the treatment of hepatitis B virus 诺华股份有限公司 2021-03-23 CN disclosed
CN-109251189-B 3-piperazinyl chalcone derivatives, pharmaceutical compositions thereof and application thereof 华东理工大学 2020-10-02 CN disclosed
CN-107090000-B A kind of derivative of 7 fatty acid of benzo borazol and its preparation and purposes 上海交通大学 2019-07-12 CN disclosed
CN-109251189-A 3 piperazinyl chalcone derivatives, its pharmaceutical composition and its application 华东理工大学 2019-01-22 CN disclosed
CN-107090000-A A kind of derivative and its preparation and medicinal usage of 7 aliphatic acid of benzo borazol 上海交通大学 2017-08-25 CN disclosed
US-9345708-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-24 US disclosed
US-8829007-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 US disclosed
CN-102140088-A New process for synthesizing 3-bromobenzaldehyde acetal WUHAN ZHENGQINHE ENVIRONMENTAL PROT TECHNOLOGY CO LTD 2011-08-03 CN disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
EP-0289669-B1 PROCESS FOR PREPARING 3-PHENOXYBENZALDEHYDES HARDWICKE CHEMICAL COMPANY (US) 1992-04-01 EP disclosed
EP-0289669-A1 Process for preparing 3-phenoxybenzaldehydes HARDWICKE CHEMICAL COMPANY (US) 1988-11-09 EP disclosed
EP-0289669-A1 Process for preparing 3-phenoxybenzaldehydes HARDWICKE CHEMICAL COMPANY (US) 1988-11-09 EP disclosed
US-4691033-A Process for preparing 3-phenoxybenzaldehydes HARDWICKE CHEMICAL COMPANY (US) 1987-09-01 US disclosed
EP-0052836-A1 Phenoxybenzaldehydes and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-02 EP disclosed