SCHEMBL6238003

SCHEMBL6238003

C[n+]1ccc(C#N)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.67
SLC22A2 O15244 1/20 0.47
SLC22A1 O15245 1/20 0.47
SLC22A3 O75751 1/20 0.47
SLC6A4 P31645 1/20 0.47
TSHR P16473 1/20 0.46
CHAT P28329 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
CYP2A6 P11509 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GABRA1 P14867 1/20 0.32

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
SCHEMBL5455838 0.82
SCHEMBL8987958 0.81 TSHR (0.42) HDAC8SLC6A4TSHRLMNANPSR1
SCHEMBL8987989 0.81 HDAC8 (0.73) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL20841977 0.80 TSHR (0.59) TSHRLMNAMAPTMAOBMAOA
Iodide SCHEMBL23131037 0.80 HDAC8 (0.95) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
Iodide SCHEMBL7051892 0.80 HDAC8 (0.95) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
Iodide SCHEMBL23131038 0.80 HDAC8 (0.95) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
Hydrochloric Acid SCHEMBL5831783 0.80 HDAC8 (0.95) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL29455304 0.78 TSHR (0.56) TSHRLMNAMAPTMAOBMAOA
SCHEMBL577807 0.78 SLC22A2 (0.54) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169152-B1 COPOLYMER OF ETHYLENE AND A POLAR GROUP-CONTAINING CYCLIC OLEFIN COMPRISING ESTER- OR ANHYDRIDE MODIFIED NORBORNENE OR PERHYDRO-2,3-DIDEHYDRO-1,4:5,8-DIMETHANONAPHTHALENE MADE WITH CATALYST SUCH AS 1,5,9-TRIAZACYCLODODECANYLTITANIUM CHLORIDE JSR CORPORATION (JP) 2001-01-02 US claimed
EP-1046654-B1 Olefin polymerization catalysts and olefin polymer production methods using said olefin polymerization catalysts JSR CORP (JP) 2005-06-29 EP disclosed
EP-1022292-B1 Ethylene-1-butene random copolymer and polypropylene resin composition comprising the same JSR CORP (JP) 2005-05-04 EP disclosed
US-6525150-B1 Such as vanadium 2,2'-thiobis(6-t-butyl-4-methylphenyl) oxychloride complex, trimethylaluminum and N,N-dimethyl-anilinium tetrakis(pentafluorophenyl)borate; high degree of copolymerization JSR CORPORATION (JP) 2003-02-25 US disclosed
EP-0855413-B1 Ethylene copolymer rubber composition JSR CORP (JP) 2002-01-02 EP disclosed
US-6169152-B1 COPOLYMER OF ETHYLENE AND A POLAR GROUP-CONTAINING CYCLIC OLEFIN COMPRISING ESTER- OR ANHYDRIDE MODIFIED NORBORNENE OR PERHYDRO-2,3-DIDEHYDRO-1,4:5,8-DIMETHANONAPHTHALENE MADE WITH CATALYST SUCH AS 1,5,9-TRIAZACYCLODODECANYLTITANIUM CHLORIDE JSR CORPORATION (JP) 2001-01-02 US disclosed
EP-1046654-A1 Olefin polymerization catalysts and olefin polymer production methods using said olefin polymerization catalysts JSR Corporation (JP) 2000-10-25 EP disclosed
EP-1022292-A2 Ethylene-1-butene random copolymer and polypropylene resin composition comprising the same JSR Corporation (JP) 2000-07-26 EP disclosed
US-5914372-A VULCANIZABLE RUBBER CONSISTS OF A COPOLYMER OF ETHYLENE-ALPHA-OLEFIN-NON-CONJUGATED DIENE, ATLEAST ONE VULCANIZING AGENT, AND A PEROXY CROOSLINKING AGENT JSR CORPORATION (JP) 1999-06-22 US disclosed
EP-0855413-A1 Ethylene copolymer rubber composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-07-29 EP disclosed
EP-0816387-A1 Olefin-polymerizing catalyst JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-01-07 EP disclosed
EP-0748825-A2 Ethylene-alpha-olefin-non-conjugated diene copolymer rubber JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-12-18 EP disclosed
US-5541000-A Latent, thermal cure accelerators for epoxy-aromatic amine resins having lowered peak exotherms MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-30 US disclosed
EP-0719293-A1 LATENT, THERMAL CURE ACCELERATORS FOR EPOXY-AROMATIC AMINE RESINS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-03 EP disclosed
WO-1995005411-A2 LATENT, THERMAL CURE ACCELERATORS FOR EPOXY-AROMATIC AMINE RESINS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-23 WO disclosed