SCHEMBL20043

SCHEMBL20043

N#Cc1ccncc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.46
CYP19A1 P11511 2/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
HASPIN Q8TF76 1/20 0.41
CYP11B2 P19099 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
ELANE P08246 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL29546988 1.00 HTT (0.50) HTTKMT2AMEN1NCOA3CYP19A1
SCHEMBL3248907 0.86 HTT (0.44) HTTKMT2AMEN1NCOA3CYP19A1
SCHEMBL31133690 0.82 HTT (0.48) HTTKMT2AMEN1NCOA3CYP19A1
SCHEMBL190868 0.78
SCHEMBL2419678 0.78
SCHEMBL166277 0.78
SCHEMBL166316 0.78
SCHEMBL2645295 0.78
SCHEMBL1313002 0.78
SCHEMBL526349 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113130993-A Electrolyte and electrochemical device thereof 深圳市研一新材料有限责任公司 2021-07-16 CN claimed
CN-113130989-A Electrolyte and electrochemical device 深圳市研一新材料有限责任公司 2021-07-16 CN claimed
CN-113130988-A Electrolyte and electrochemical device using same 深圳市研一新材料有限责任公司 2021-07-16 CN claimed
US-9469741-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2016-10-18 US claimed
EP-2203482-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORP (JP) 2015-11-25 EP claimed
US-20150267031-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2015-09-24 US claimed
US-9085646-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2015-07-21 US claimed
US-20150133628-A1 POLYAMINE AND METHOD FOR PRODUCING THEREOF RHODIA OPERATIONS (FR) 2015-05-14 US claimed
US-20130123542-A1 POLYAMINE AND METHOD FOR PRODUCING THEREOF RHODIA OPERATIONS (FR) 2013-05-16 US claimed
US-20130066016-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2013-03-14 US claimed
EP-1180126-B1 SUBPHTHALOCYANINE COLORANTS, INK COMPOSITIONS AND METHODS OF MAKING THE SAME UNIV NORTH CAROLINA STATE (US) 2005-05-04 EP claimed
US-6524761-B2 Photosensitive with respect to light from the visible to near infrared range; charging; electrostatic stability; mass spectrophotometry RICOH COMPANY, LTD. (JP) 2003-02-25 US claimed
JP-2003500510-A 2003-01-07 JP claimed
US-6368395-B1 COLORFASTNESS; PHOTOSTABILITY KIMBERLY-CLARK WORLDWIDE, INC. 2002-04-09 US claimed
EP-1180126-A1 SUBPHTHALOCYANINE COLORANTS, INK COMPOSITIONS AND METHODS OF MAKING THE SAME Kimberly-Clark Worldwide, Inc. (US) 2002-02-20 EP claimed
US-6271400-B2 SILICON BASED ANHYDROUS OXIDANT; LIGAND; CATALYTIC ORGANO OR INORGANO RHENIUM OXIDE; CONTROLLING EXCESS WATER CONCENTRATION AND MAXIMIZING MONOPEROXOCOMPLEX FORMATION. THE SCRIPPS RESEARCH INSTITUTE 2001-08-07 US claimed
US-20010001798-A1 EPOXIDATION OF OLEFINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-05-24 US claimed
WO-2000071621-A1 NOVEL SUBPHTHALOCYANINE COLORANTS, INK COMPOSITIONS, AND METHODS OF MAKING THE SAME KIMBERLY-CLARK WORLDWIDE, INC. (US) 2000-11-30 WO claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed