SCHEMBL2427129

SCHEMBL2427129

c1cncc(C2=NCCN2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 14/20 1.00
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2A6 P11509 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
HPGD P15428 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAOB P27338 1/20 0.51
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL8202110 0.91 NISCH (0.83) NISCHALDH1A1CYP1A2CYP3A4CYP2A6
SCHEMBL5141529 0.89 NISCH (0.80) NISCHALDH1A1CYP1A2CYP3A4CYP2A6
SCHEMBL105024 0.79 NISCH (1.00) NISCHALDH1A1CYP1A2GAATSHR
SCHEMBL9189709 0.78 NISCH (0.85) NISCHGAATSHRMAOB
SCHEMBL28772851 0.78 NISCH (0.96) NISCHALDH1A1CYP1A2GAATSHR
Ammonia Solution, Strong SCHEMBL7104964 0.78 NISCH (0.96) NISCHALDH1A1CYP1A2GAATSHR
Bromide SCHEMBL29039569 0.78 NISCH (0.96) NISCHALDH1A1CYP1A2GAATSHR
SCHEMBL5476725 0.77 NISCH (0.79) NISCHALDH1A1CYP1A2HPGDCASP1
SCHEMBL8141372 0.76 NISCH (1.00) NISCHALDH1A1CYP1A2GAATSHR
SCHEMBL2009403 0.76 NISCH (0.65) NISCHLMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4695613-A EPOXY RESIN, CYCLIC AMIDINE NEUTRALIZED OLIGOESTER HUELS AKTIENGESELLSCHAFT (DE) 1987-09-22 US claimed
US-4246394-A PROMOTER FOR CROSSLINKING VEBA-CHEMIE AKTIENGESELLSCHAFT (DE) 1981-01-20 US claimed
EP-2542632-B1 ACTIVE RAY CURABLE INK COMPOSITION, ACTIVE RAY CURABLE INKJET INK COMPOSITION AND PRINTING METHOD USING THE SAME RICOH CO LTD (JP) 2016-10-19 EP disclosed
EP-2542632-A1 ACTIVE RAY CURABLE INK COMPOSITION, ACTIVE RAY CURABLE INKJET INK COMPOSITION AND PRINTING METHOD USING THE SAME Ricoh Company, Ltd. (JP) 2013-01-09 EP disclosed
US-20130005849-A1 ACTIVE RAY CURABLE INK COMPOSITION, ACTIVE RAY CURABLE INKJET INK COMPOSITION AND PRINTING METHOD USING THE SAME RICOH COMPANY, LTD. (JP) 2013-01-03 US disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
CN-102782060-A Active ray curable ink composition, active ray curable inkjet ink composition and printing method using the same RICOH CO LTD 2012-11-14 CN disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2011108757-A1 ACTIVE RAY CURABLE INK COMPOSITION, ACTIVE RAY CURABLE INKJET INK COMPOSITION AND PRINTING METHOD USING THE SAME RICOH COMPANY, LTD. (JP) 2011-09-09 WO disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
US-4431653-A ANTIBIOTICS; BACTERICIDES; SSYNERGISTIC WITH AMINO ACID DERIVATIVE HOFFMANN-LA ROCHE INC. (US) 1984-02-14 US disclosed
US-4424313-A ORGANO-NITROGEN SALTS BAYER AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
US-4424353-A INTERMEDIATES FOR ISOCYANATE ADDUCTS, EPOXY RESIN CURING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
EP-0093959-A2 Process for the preparation of glycidyl-1,2,4-triazolidin-3,5-diones BAYER AG (DE) 1983-11-16 EP disclosed
EP-0085913-A1 Reactive polymers containing carboxylic groups, process for their production and their use as curing agents in powder lacquers BAYER AG (DE) 1983-08-17 EP disclosed
EP-0051787-A2 Amidines and amidine/isocyanate adducts, methods of preparing them and their use as catalysts in curing epoxy resins BAYER AG (DE) 1982-05-19 EP disclosed
US-4246394-A PROMOTER FOR CROSSLINKING VEBA-CHEMIE AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed
EP-0000418-A1 Process for glueing materials CHEMISCHE WERKE HÜLS AG (DE) 1979-01-24 EP disclosed
US-4127562-A HARDENER, VARNISH ADDITIVES, 1,2-EPOXY COMPOUNDS VEBA-CHEMIE AKTIENGESELLSCHAFT (DE) 1978-11-28 US disclosed