SCHEMBL156302

SCHEMBL156302

CCCCN(CCCC)c1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2A6 P11509 2/20 0.45
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MGLL Q99685 2/20 0.40
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL14454643 0.93 TSHR (0.51) TSHRHSD17B10CYP2A6ALDH1A1MGLL
SCHEMBL151232 0.88 CYP2A6 (0.48) TSHRHSD17B10CYP2A6EGFRERBB2
SCHEMBL9798418 0.88 TSHR (0.59) TSHRHSD17B10CYP2A6ALDH1A1MGLL
SCHEMBL9798548 0.84 INSR (0.46) TSHRHSD17B10MGLLSLC16A3SLC16A1
SCHEMBL9798544 0.84 INSR (0.46) TSHRHSD17B10MGLLSLC16A3SLC16A1
SCHEMBL8372547 0.84 MGLL (0.42) EGFRERBB2MGLLSLC16A3SLC16A1
SCHEMBL7153351 0.83 EGFR (0.50) TSHREGFRERBB2ALDH1A1CNR2
SCHEMBL560649 0.81 EGFR (0.41) EGFRERBB2ALDH1A1SLC16A3SLC16A1
SCHEMBL2704042 0.81 EGFR (0.44) EGFRERBB2ALDH1A1SLC16A3SLC16A1
SCHEMBL63804 0.79 ALDH1A1 (0.52) TSHRHSD17B10CYP2A6ALDH1A1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735494-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2014-05-27 US disclosed
US-20130085227-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2013-04-04 US disclosed
US-8344066-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2013-01-01 US disclosed
US-20120059112-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS COMTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2012-03-08 US disclosed
EP-2382240-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP Bridgestone Corporation (JP) 2011-11-02 EP disclosed
WO-2010085622-A9 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-12-23 WO disclosed
WO-2010085622-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-07-29 WO disclosed
EP-1313560-B1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2007-12-19 EP disclosed
EP-1313560-B1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2007-12-19 EP disclosed
EP-1313560-A4 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2005-02-09 EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 WO disclosed
EP-0778209-B1 Oxygen absorbing container TOYO SEIKAN KAISHA LTD (JP) 1998-09-09 EP disclosed
US-5800887-A CARBON MONOXIDE-STYRENE OR ETHYLENE COPOLYMER TOYO SEIKAN KAISHA, LTD. (JP) 1998-09-01 US disclosed
EP-0778209-A1 Oxygen absorbing container TOYO SEIKAN KAISHA LIMITED (JP) 1997-06-11 EP disclosed
US-RE35135-E Dental material; mixture of radical-polymerizable monomer, alpha-ketocarbonyl and aromatic amine MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0136186-B1 PHOTOCURABLE RESIN COMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-09-06 EP disclosed
US-4548689-A RADICAL POLYMERIZABLE MONOMER, KETOCARBONYL COMPOUND AND MERCAPTOB MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US disclosed
EP-0136186-A2 Photocurable resin composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-04-03 EP disclosed