SCHEMBL7102888

SCHEMBL7102888

Clc1cccc(C(Br)CBr)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.41
AOC3 Q16853 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PNMT P11086 2/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
TAAR1 Q96RJ0 1/20 0.35
RECQL P46063 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8779761 0.83 ACP3 (0.44) ACP3AOC3MEN1KMT2APNMT
SCHEMBL8130729 0.83 ACP3 (0.44) ACP3AOC3MEN1KMT2APNMT
SCHEMBL7786059 0.83 ACP3 (0.44) ACP3AOC3MEN1KMT2APNMT
SCHEMBL954860 0.82 AOC3 (0.42) ACP3AOC3MEN1KMT2APNMT
SCHEMBL31173890 0.79 ACP3 (0.41) ACP3AOC3MEN1KMT2APNMT
SCHEMBL7107297 0.79 ADRB3 (0.48) ACP3MEN1KMT2ATSHRRECQL
SCHEMBL7105071 0.79 ADRB3 (0.48) ACP3MEN1KMT2ATSHRRECQL
SCHEMBL16953337 0.79 ACP3 (0.41) ACP3AOC3MEN1KMT2APNMT
SCHEMBL8098427 0.79 ADRB3 (0.48) ACP3MEN1KMT2ATSHRRECQL
SCHEMBL17061793 0.78 ACP3 (0.46) ACP3AOC3MEN1KMT2APNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9249600-A None JP disclosed
JP-9030998-A None JP disclosed
JP-11343253-A None JP disclosed
CN-103596951-A 8-ethyl-6-(aryl)pyrido [2,3-d]pyrimidin-7(8h)-ones for the treatment of nervous system disorders and cancer AFRAXIS INC 2014-02-19 CN disclosed
CN-101808992-B 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives HOFFMANN LA ROCHE 2012-09-26 CN disclosed
CN-102648200-A 8-ethyl-6-(aryl)pyrido[2,3-d]pyrimidin-7(8h)-ones for the treatment of cns disorders AFRAXIS INC 2012-08-22 CN disclosed
CN-102348682-A 1,1,1-trifluoro-2-hydroxypropyl compounds HOFFMANN LA ROCHE 2012-02-08 CN disclosed
CN-101538268-B Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER 2011-07-27 CN disclosed
CN-101432262-B Cyclohexyl-substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 LILLY CO ELI 2011-06-01 CN disclosed
CN-101808992-A 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives HOFFMANN LA ROCHE 2010-08-18 CN disclosed
CN-1289321-A Biphenylsulfonyl cyanamides, method for the production thereof and their utilization as a medicament AVENTIS PHARMACEUTIC DEUTSCHLA (DE) 2001-03-28 CN disclosed
EP-0754665-B1 3-substituted-alpha,beta-dibromoethylbenzene and process for preparing the same MITSUBISHI CHEM CORP (JP) 2000-12-27 EP disclosed
JP-H11343253-A PRODUCTION OF ALPHA, BETA-DIBROMOETHYLBENZENE AND ALPHA-BROMOSTYRENE MITSUBISHI CHEMICAL CORP 1999-12-14 JP disclosed
US-5841004-A 3-substituted-α, β-dibromoethylbenzene and process for preparing the same MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-24 US disclosed
US-5841001-A ALLOWING 2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL TO CONTACT ENZYME STEREOSELECTIVELY CATALYZING ESTER INTERCHANGE IN PRESENCE OF CARBOXYLIC ANHYDRIDE MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-24 US disclosed
CN-1188760-A Benzidine-sulfuryl radical substitution pentatomic heterocycle, its preparation method, its medicinal and composition HOECHST AG (DE) 1998-07-29 CN disclosed
JP-H09249600-A PRODUCTION OF 2-BROMO-1-(M-SUBSTITUTED PHENYL)ETHANOLS MITSUBISHI CHEM CORP 1997-09-22 JP disclosed
EP-0792936-A2 Process for the preparation of optically active 2-halo-1-(substituted phenyl) ethanol Mitsubishi Chemical Corporation (JP) 1997-09-03 EP disclosed
JP-H0930998-A PRODUCTION OF M-SUBSTITUTED-ALPHA-HYDROXYMETHYLSTYRENE DERIVATIVE AND 3-CHLORO-ALPHA-BROMOSTYRENE MITSUBISHI CHEM CORP 1997-02-04 JP disclosed
EP-0754665-A2 3-substituted-alpha,beta-dibromoethylbenzene and process for preparing the same Mitsubishi Chemical Corporation (JP) 1997-01-22 EP disclosed