SCHEMBL3129032

SCHEMBL3129032

COS(=O)(=O)O.Cc1cccc2nc3ccccc3nc12

nearest known ligand 0.68

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 10/20 0.49
MAPT P10636 6/20 0.48
RAB9A P51151 6/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 3/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
G6PD P11413 1/20 0.44
PKM P14618 1/20 0.44
THRB P10828 2/20 0.41
BLM P54132 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL997540 1.00 NQO2 (0.49) NQO2MAPTRAB9AMAPK1ALDH1A1
SCHEMBL31031113 1.00 NQO2 (0.49) NQO2MAPTRAB9AMAPK1ALDH1A1
Sulfuric Acid SCHEMBL10827282 0.90 ALDH1A1 (0.53) NQO2MAPTRAB9AMAPK1ALDH1A1
Sulfuric Acid SCHEMBL10827277 0.90 ALDH1A1 (0.53) NQO2MAPTRAB9AMAPK1ALDH1A1
SCHEMBL28685743 0.84 MAPT (0.45) NQO2MAPTRAB9AMAPK1ALDH1A1
Phenazine SCHEMBL2873102 0.84 MAPT (0.50) NQO2MAPTRAB9AMAPK1ALDH1A1
Phenazine SCHEMBL10876543 0.84 MAPT (0.50) NQO2MAPTRAB9AMAPK1ALDH1A1
Phenazine SCHEMBL94396 0.84 MAPT (0.50) NQO2MAPTRAB9AMAPK1ALDH1A1
SCHEMBL197530 0.83 NQO2 (0.75) NQO2MAPTRAB9AMAPK1ALDH1A1
SCHEMBL4945159 0.83 NQO2 (0.75) NQO2MAPTRAB9AMAPK1ALDH1A1

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-2010027977-A2 COLORIMETRIC BIOASSAY FOR PERCHLORATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-03-11 WO claimed
US-4610767-A Photochemical method for preparing 4-keto-9-methylphenazine LATVIISKY GOSUDARSTVENNY UNIVERSITET IMENI P.STUCHKI (SU) 1986-09-09 US claimed
CN-114755419-A Application of mitochondrial respiratory chain complex V in diagnosis of idiopathic pulmonary fibrosis 中国科学院生物物理研究所 2022-07-15 CN disclosed
CN-108929895-A Hypoxanthine and xanthine concentration analysis enzymatic compositions as the purine metabolism object for diagnosing tumor 高普生物有限公司 2018-12-04 CN disclosed
WO-2010027977-A3 COLORIMETRIC BIOASSAY FOR PERCHLORATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-27 WO disclosed
WO-2010027977-A2 COLORIMETRIC BIOASSAY FOR PERCHLORATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-03-11 WO disclosed
US-6867012-B2 Determination method of biological component and reagent kit used therefor TOYO BOSEKI KABUSHIKI KAISHA (JP) 2005-03-15 US disclosed
US-20020119507-A1 Determination method of biological component and reagent kit used therefor TOYO BOSEKI KABUSHIKI KAISHA (JP) 2002-08-29 US disclosed
EP-1213358-A2 Method and kit for the determination of a biological component Toyo Boseki Kabushiki Kaisha (JP) 2002-06-12 EP disclosed
EP-0496412-B1 Method for highly sensitive determination of NADH using NADH kinase NODA INST FOR SCIENTIFIC RES (JP) 1995-11-15 EP disclosed
US-5250416-A Method for highly sensitive determination of NADH using kinase NODA INSTITUTE FOR SCIENTIFIC RSEARCH (JP) 1993-10-05 US disclosed
EP-0496412-A2 Method for highly sensitive determination of NADH using NADH kinase NODA INSTITUTE FOR SCIENTIFIC RESEARCH (JP) 1992-07-29 EP disclosed
US-4718994-A HYDROXYLATION LATVIISKY GOSUDARSTVENNY UNIVERSAITET IMENI P. STUCHKI (SU) 1988-01-12 US disclosed
US-4610767-A Photochemical method for preparing 4-keto-9-methylphenazine LATVIISKY GOSUDARSTVENNY UNIVERSITET IMENI P.STUCHKI (SU) 1986-09-09 US disclosed
US-4610767-A Photochemical method for preparing 4-keto-9-methylphenazine LATVIISKY GOSUDARSTVENNY UNIVERSITET IMENI P.STUCHKI (SU) 1986-09-09 US disclosed