SCHEMBL4903618

SCHEMBL4903618

C=CC(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.61
CA2 P00918 1/20 0.51
EPHX1 P07099 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CHRM2 P08172 1/20 0.47
PTPRF P10586 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN11 Q06124 1/20 0.47

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
SCHEMBL9193041 0.93 MAPT (0.55) TGM2MEN1KMT2AMAPTHTT
SCHEMBL16594665 0.84 MAPT (0.61) TGM2L3MBTL1MEN1KMT2AMAPT
SCHEMBL732934 0.84 TGM2 (0.81) TGM2MEN1KMT2AALDH1A1CYP2C9
SCHEMBL16618597 0.82 ALDH1A1 (0.60) TGM2MEN1KMT2AMAPTALDH1A1
SCHEMBL27968659 0.80 L3MBTL1 (0.57) CA2EPHX1L3MBTL1MEN1KMT2A
SCHEMBL1521016 0.80 PTPRF (0.57) CA2EPHX1L3MBTL1MEN1KMT2A
SCHEMBL1804701 0.78 NPC1 (0.58) CA2EPHX1L3MBTL1MEN1KMT2A
SCHEMBL4587574 0.78 CA2 (0.55) CA2EPHX1L3MBTL1MEN1KMT2A
SCHEMBL4587579 0.78 CA2 (0.58) CA2EPHX1L3MBTL1MEN1KMT2A
SCHEMBL2452377 0.78 TGM2 (0.71) TGM2MEN1KMT2AALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049290-A1 High refractive index hydrogel compositions for ophthalmic implants VANDERBILT DAVID P (US) 2002-04-25 US claimed
JP-2183228-A None JP disclosed
WO-2018162396-A1 COLORIMETRIC SENSORS OF DIVALENT METALS AND/OR OXIDISING ANIONS IN DRINKING WATER, INDUSTRIAL WATER AND/OR FOOD PRODUCTS UNIVERSIDAD DE BURGOS (ES) 2018-09-13 WO disclosed
EP-2691424-B1 POLYMERIZABLE MONOMER, POLYMERIC COMPOUND, CHARGE CONTROL AGENT CONTAINING THE POLYMERIC COMPOUND, AND DEVELOPER BEARING MEMBER AND TONER WHICH CONTAIN THE CHARGE CONTROL AGENT CANON KK (JP) 2016-02-03 EP disclosed
US-9250552-B2 Polymerizable monomer, polymeric compound, charge control agent containing the polymeric compound, and developer bearing member and toner which contain the charge control agent CANON KABUSHIKI KAISHA (JP) 2016-02-02 US disclosed
EP-2691424-A1 POLYMERIZABLE MONOMER, POLYMERIC COMPOUND, CHARGE CONTROL AGENT CONTAINING THE POLYMERIC COMPOUND, AND DEVELOPER BEARING MEMBER AND TONER WHICH CONTAIN THE CHARGE CONTROL AGENT Canon Kabushiki Kaisha (JP) 2014-02-05 EP disclosed
US-20140011130-A1 POLYMERIZABLE MONOMER, POLYMERIC COMPOUND, CHARGE CONTROL AGENT CONTAINING THE POLYMERIC COMPOUND, AND DEVELOPER BEARING MEMBER AND TONER WHICH CONTAIN THE CHARGE CONTROL AGENT CANON KABUSHIKI KAISHA (JP) 2014-01-09 US disclosed
EP-1998222-B1 Coating compositions ROHM & HAAS ELECT MAT (US) 2013-03-20 EP disclosed
WO-2012133881-A1 POLYMERIZABLE MONOMER, POLYMERIC COMPOUND, CHARGE CONTROL AGENT CONTAINING THE POLYMERIC COMPOUND, AND DEVELOPER BEARING MEMBER AND TONER WHICH CONTAIN THE CHARGE CONTROL AGENT CANON KABUSHIKI KAISHA (JP) 2012-10-04 WO disclosed
EP-1998222-A2 Coating compositions Rohm and Haas Electronic Materials LLC (US) 2008-12-03 EP disclosed
US-6491903-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION SHELL-CORE POLYMERS HAVING HYDROPHILIC, CROSSLINKED PERMEABLE SHELLS AND HYDROPHOBIC CORES, USED FOR REDUCING BLOOD CHOLESTEROL AND BILE ACID UPTAKE IN INTERSTINES; DRUG DELIVERY WASHINGTON UNIVERSITY 2002-12-10 US disclosed
US-6383500-B1 Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications WASHINGTON UNIVERSITY 2002-05-07 US disclosed
EP-0505972-B1 Process for producing styrenic copolymer IDEMITSU KOSAN CO (JP) 1997-06-11 EP disclosed
EP-0490269-B1 Graft copolymer and process for producing the same IDEMITSU KOSAN CO (JP) 1996-02-28 EP disclosed
US-5250629-A Graft polymerization of styrene and ethylenically unsaturated monomer using transition metal catalysts, organoaluminum compounds; films, packaging, automobile parts IDEMITSU KOSAN CO., LTD. (JP) 1993-10-05 US disclosed
EP-0505972-A2 Process for producing styrenic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed
EP-0237678-B1 TRYPTAMINE DERIVATIVES, THEIR SYNTHESIS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS GLAXO GROUP LIMITED (GB) 1991-04-03 EP disclosed
JP-H02183228-A ORGANIC NONLINEAR OPTICAL MATERIAL MIYATA SEIZO 1990-07-17 JP disclosed
US-4870096-A MIGRAINE GLAXO GROUP LIMITED (GB) 1989-09-26 US disclosed
EP-0237678-A1 Tryptamine derivatives, their synthesis and their use in pharmaceutical compositions GLAXO GROUP LIMITED (GB) 1987-09-23 EP disclosed