SCHEMBL2804173

SCHEMBL2804173

NC(N)=Nc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
GRIN2D O15399 2/20 0.61
GRIN3B O60391 2/20 0.61
GRIN1 Q05586 2/20 0.61
GRIN2A Q12879 2/20 0.61
GRIN2B Q13224 2/20 0.61
GRIN2C Q14957 2/20 0.61
GRIN3A Q8TCU5 2/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
PKM P14618 1/20 0.60
RAD52 P43351 1/20 0.60
TAAR1 Q96RJ0 1/20 0.60
PLG P00747 2/20 0.57
F2 P00734 1/20 0.57

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
SCHEMBL31513105 0.84 HTR3E (0.58) SIGMAR1CYP1A2CYP3A4GRIN2DGRIN3B
SCHEMBL7068774 0.83 SIGMAR1 (0.57) SIGMAR1CYP1A2CYP3A4GRIN2DGRIN3B
SCHEMBL6660622 0.80 F2 (0.59) SIGMAR1CYP1A2CYP3A4GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL11771075 0.79 F2 (0.71) SIGMAR1CYP1A2CYP3A4GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL11771072 0.79 F2 (0.71) SIGMAR1CYP1A2CYP3A4GRIN2DGRIN3B
SCHEMBL5187866 0.79 POLB (0.47) SIGMAR1CYP1A2CYP3A4GRIN2DGRIN3B
SCHEMBL28445306 0.79 SIGMAR1 (0.60) SIGMAR1CYP1A2CYP3A4GRIN2DGRIN3B
SCHEMBL5186996 0.77 CYP3A4 (0.53) SIGMAR1CYP1A2CYP3A4GRIN2DGRIN3B
SCHEMBL7427722 0.77 SIGMAR1 (0.64) SIGMAR1CYP1A2CYP3A4GRIN2DGRIN3B
SCHEMBL8320910 0.76 SIGMAR1 (0.83) SIGMAR1CYP1A2CYP3A4GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3298875-B2 2002-07-08 JP claimed
EP-0517852-A4 1994-03-02 EP claimed
EP-0517852-A1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1992-12-16 EP claimed
WO-1991012797-A1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALF SCIENCES UNIVERSITY (US) 1991-09-05 WO claimed
CN-115335362-A Chiral guanidine and its salt, method for producing chiral guanidine and its salt and use of chiral guanidine and its salt for producing enantiomerically pure amino acids 付瑞 2022-11-11 CN disclosed
EP-3658141-A1 TREATING PATHOLOGICAL CONDITIONS BY DIRECT AND INDIRECT TARGETING OF SIRPA - CD47 INTERACTION Stichting Het Nederlands Kanker Instituut- Antoni van Leeuwenhoek Ziekenhuis (NL) 2020-06-03 EP disclosed
CN-110337435-A Barbituric acid derivatives comprising cation group and lipophilic group 特罗姆瑟大学-挪威北极圈大学 2019-10-15 CN disclosed
WO-2019022600-A1 TREATING PATHOLOGICAL CONDITIONS BY DIRECT AND INDIRECT TARGETING OF SIRPA - CD47 INTERACTION Stichting Het Nederlands Kanker Instituut-Antoni van Leeuwenhoek Ziekenhuis (NL) 2019-01-31 WO disclosed
CN-103339109-B Tetrahydroisoquinoline derivative ASTELLAS PHARMA INC 2015-04-29 CN disclosed
US-9006323-B2 Dispersion containing flame-resistant polymer, flame-resistant fiber, and carbon fiber TORAY INDUSTRIES, INC. (JP) 2015-04-14 US disclosed
CN-103339109-A Tetrahydroisoquinoline derivative ASTELLAS PHARMA INC 2013-10-02 CN disclosed
CN-101903462-B Dispersion containing flame-resistant polymer, flame-resistant fiber, and carbon fiber TORAY INDUSTRIES 2012-12-12 CN 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
EP-0517852-A4 1994-03-02 EP disclosed
EP-0517852-A1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1992-12-16 EP disclosed
WO-1991012797-A1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALF SCIENCES UNIVERSITY (US) 1991-09-05 WO disclosed
EP-0178952-A2 Toner, charge-imparting material and composition containing positively chargeable compound CANON KABUSHIKI KAISHA (JP) 1986-04-23 EP disclosed