SCHEMBL9514526

SCHEMBL9514526

Cc1c(N)c(=O)n(-c2ccccc2)n1CN

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.63
PTGS2 P35354 1/20 0.63
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
LMNA P02545 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
TSHR P16473 3/20 0.41
CYP1A2 P05177 2/20 0.41
NAPRT Q6XQN6 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABCB1 P08183 1/20 0.37

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
SCHEMBL6260403 0.87 BCHE (0.63) BCHEPTGS2ALDH1A1ALOX15LMNA
SCHEMBL17035229 0.84 BCHE (0.64) BCHEPTGS2ALDH1A1ALOX15LMNA
SCHEMBL9413452 0.84 BCHE (0.59) BCHEPTGS2ALDH1A1ALOX15LMNA
SCHEMBL17035227 0.84 BCHE (0.64) BCHEPTGS2ALDH1A1ALOX15LMNA
SCHEMBL23400437 0.83 BCHE (0.58) BCHEPTGS2LMNAADORA3CYP1A2
SCHEMBL23400266 0.81 PTGS2 (0.60) BCHEPTGS2ALDH1A1ALOX15LMNA
SCHEMBL3695114 0.80 BCHE (0.73) BCHEPTGS2ALDH1A1ALOX15LMNA
SCHEMBL4370043 0.80 BCHE (0.43) BCHEPTGS2ALDH1A1ALOX15LMNA
Ampyrone SCHEMBL11674586 0.77 BCHE (1.00) BCHEPTGS2ALDH1A1ALOX15LMNA
Ampyrone SCHEMBL18159502 0.77 BCHE (1.00) BCHEPTGS2ALDH1A1ALOX15LMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019216408-A1 METHOD FOR SUPPRESSING REDUCTIONS IN BIOLOGICAL COMPONENT MEASUREMENT REAGENT KIT SENSITIVITY 東洋紡株式会社 (JP) 2019-11-14 WO disclosed
EP-0328029-B1 Cholesterol-esterase colour substrate BOEHRINGER MANNHEIM GMBH (DE) 1993-12-08 EP disclosed
EP-0331167-B1 SUBSTRATES FOR PHOSPHOLIPASES Roche Diagnostics GmbH (DE) 1992-07-22 EP disclosed
US-5091527-A SUBSTRATE FOR PHOSPHOLIPASE BOEHRINGER MANNHEIM GMBH (DE) 1992-02-25 US disclosed
EP-0331167-A2 Substrates for phospholipases Roche Diagnostics GmbH (DE) 1989-09-06 EP disclosed
EP-0328029-A2 Cholesterol-esterase colour substrate Roche Diagnostics GmbH (DE) 1989-08-16 EP disclosed
EP-0168661-B1 AMINOPYRAZOLINONES, THEIR PREPARATION AND USE Roche Diagnostics GmbH (DE) 1988-08-24 EP disclosed
US-4737458-A STABILITY BOEHRINGER MANNHEIM GMBH (DE) 1988-04-12 US disclosed
EP-0215824-A1 ANALYTIC METHOD FOR THE DETERMINATION OF A REDUCED COENZYME. BATTELLE MEMORIAL INSTITUTE (CH) 1987-04-01 EP disclosed
WO-1986005517-A1 ANALYTIC METHOD FOR THE DETERMINATION OF A REDUCED COENZYME BATTELLE MEMORIAL INSTITUTE (CH) 1986-09-25 WO disclosed
US-4567139-A ENZYMATIC REACTIONS; MEDICAL DIAGNOSIS BOEHRINGER MANNHEIM GMBH (DE) 1986-01-28 US disclosed
EP-0168661-A1 Aminopyrazolinones, their preparation and use Roche Diagnostics GmbH (DE) 1986-01-22 EP disclosed
US-4394512-A CHROMOGENS FOR MEASURING HYDROGEN PEROXIDE FORMATION IN ENZYMATI-C REACTION BOEHRINGER MANNHEIM GMBH (DE) 1983-07-19 US disclosed
EP-0033539-B1 USE OF AMINOANTIPYRINE COMPOUNDS AND NEW AMINOANTIPYRINE DERIVATIVES Roche Diagnostics GmbH (DE) 1983-01-19 EP disclosed
EP-0033539-A1 Use of aminoantipyrine compounds and new aminoantipyrine derivatives Roche Diagnostics GmbH (DE) 1981-08-12 EP disclosed