SCHEMBL1996357

SCHEMBL1996357

N=C(N)Nc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PLAU P00749 2/20 0.52
F2 P00734 1/20 0.52
PLG P00747 1/20 0.52
KLKB1 P03952 1/20 0.52
KLK1 P06870 1/20 0.52
PRSS1 P07477 1/20 0.52
ALDH1A1 P00352 4/20 0.51
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CXCR4 P61073 2/20 0.49

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
Benzoic Acid SCHEMBL28324321 0.87 PLAU (0.56) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL7427727 0.85 SIGMAR1 (0.51) SIGMAR1RAB9ANPC1MAPTMEN1
SCHEMBL651822 0.80 ALDH1A1 (0.61) SIGMAR1RAB9ANPC1MAPTMEN1
SCHEMBL31119169 0.80 ALDH1A1 (0.61) SIGMAR1RAB9ANPC1MAPTMEN1
SCHEMBL516845 0.80 RAB9A (0.65) SIGMAR1RAB9ANPC1MAPTMEN1
SCHEMBL27003089 0.78 RAB9A (0.68) SIGMAR1RAB9ANPC1MAPTMEN1
SCHEMBL23332264 0.77 NPC1 (0.56) SIGMAR1RAB9ANPC1MAPTMEN1
SCHEMBL1032426 0.77 RAB9A (0.61) SIGMAR1RAB9ANPC1MAPTMEN1
4-Guanidino-Benzoic Acid SCHEMBL23673306 0.77 PLAU (0.67) RAB9ANPC1PLAUF2PLG
SCHEMBL516844 0.76 RAB9A (0.65) RAB9ANPC1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960459-B2 Curable composition KANEKA CORPORATION (JP) 2011-06-14 US disclosed
EP-1990371-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2010-05-05 EP disclosed
US-20090186993-A1 CURABLE COMPOSITION KANEKA CORPORATION (JP) 2009-07-23 US disclosed
EP-1990371-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2008-11-12 EP disclosed
CN-101111475-A Antiviral compounds and methods BIOTRON LTD (AU) 2008-01-23 CN disclosed
EP-1097141-B1 IMIDAZOLE DERIVATIVES WITH BIPHENYLSULFONYL SUBSTITUTION, METHOD FOR PREPARING THEM AND THEIR USE AS A DRUG OR DIAGNOSTIC AGENT SANOFI AVENTIS DEUTSCHLAND (DE) 2007-05-23 EP disclosed
CN-1231465-C Biphenylsulfonyl cyanamides, method for the production thereof and use thereof as medicaments AVENTIS PHARMACEUTIC DEUTSCHLA (DE) 2005-12-14 CN disclosed
CN-1211370-C Imidazole derivatives with biphenylsulfonyl substituents, process for their preparation and their use as pharmaceuticals or diagnostic agents AVENTIS PHARMA GMBH (DE) 2005-07-20 CN disclosed
EP-1076651-B1 SUBSTITUTED SULPHONYL CYANAMIDES, METHOD FOR PRODUCING SAME AND THEIR USE AS MEDICAMENT AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
CN-1177829-C Substituted sulphonyl cyanamides, method for the production thereof and their use as medicaments ���ĵ�˹ҩ��¹����޹�˾ 2004-12-01 CN disclosed
WO-2000003996-A1 IMIDAZOLE DERIVATIVES WITH BIPHENYLSULFONYL SUBSTITUTION, METHOD FOR PREPARING THEM AND THEIR USE AS A DRUG OR DIAGNOSTIC AGENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed
WO-2000003994-A2 BIPHENYLSULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES, THEIR PREPARATION PROCESS, THEIR USE AS A DRUG OR DIAGNOSTIC AGENT AND DRUG CONTAINING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed
WO-1999057102-A1 SUBSTITUTED SULPHONYL CYANAMIDES, METHOD FOR PRODUCING SAME AND THEIR USE AS MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-11-11 WO disclosed
US-5968978-A ANTIARRYTHMIA AGENTS, ANTIISCHEMIC AGENTS, INHIBIT PROLIFERATION OF CELLS HOECHST MARION ROUSSEL DEUTSCHLAND (DE) 1999-10-19 US disclosed
WO-1999040064-A1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-08-12 WO disclosed
CN-1212255-A Biphenylsulfonylcyanamides, method for the production thereof and use thereof as medicaments HOECHST MARION ROUSSEL DE GMBH (DE) 1999-03-31 CN disclosed
EP-0903339-A2 Biphenylsulfonylcyanamides, process for their preparation and their use as medicaments Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-24 EP disclosed
EP-0855392-A2 Five-membered heterocycles having biphenylsulphonyl substituents, processes for the preparation thereof, their use as medicaments or diagnostic agent and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-29 EP 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
US-4397676-A HERBICIDES GESHURI LABORATORIES LTD. (IL) 1983-08-09 US disclosed