SCHEMBL4945159

SCHEMBL4945159

COS(=O)(=O)O.COc1cccc2nc3ccccc3nc12

nearest known ligand 0.75

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 9/20 0.75
MAPT P10636 6/20 0.58
RAB9A P51151 4/20 0.58
POLB P06746 2/20 0.58
NPC1 O15118 2/20 0.58
LMNA P02545 1/20 0.58
G6PD P11413 1/20 0.58
PKM P14618 1/20 0.58
ALDH1A1 P00352 6/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
THRB P10828 2/20 0.57
BLM P54132 2/20 0.57
CASP6 P55212 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL197530 1.00 NQO2 (0.75) NQO2MAPTRAB9APOLBNPC1
Sulfuric Acid SCHEMBL8431344 0.94 NQO2 (0.80) NQO2MAPTRAB9APOLBNPC1
Phenazine SCHEMBL8936740 0.91 NQO2 (0.61) NQO2MAPTRAB9APOLBNPC1
Sulfuric Acid Dimethyl Ester SCHEMBL27551008 0.89 NQO2 (0.77) NQO2MAPTRAB9APOLBNPC1
SCHEMBL31578887 0.87 NQO2 (0.65) NQO2MAPTRAB9APOLBNPC1
SCHEMBL1513023 0.87 NQO2 (1.00) NQO2MAPTRAB9APOLBNPC1
Hydrochloric Acid SCHEMBL27564424 0.85 NQO2 (0.96) NQO2MAPTRAB9APOLBNPC1
Hydrochloric Acid SCHEMBL28752582 0.85 NQO2 (0.96) NQO2MAPTRAB9APOLBNPC1
Ammonia Solution, Strong SCHEMBL27633219 0.85 NQO2 (0.96) NQO2MAPTRAB9APOLBNPC1
Hydrogen Sulfide SCHEMBL28130030 0.85 NQO2 (0.96) NQO2MAPTRAB9APOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811692-B1 METHOD OF DETERMINING BILE ACID CONJUGATED WITH SULFURIC ACID AND KIT THEREFOR MARUKIN SHOYU KK (JP) 2002-04-24 EP claimed
US-5919644-A Method for assaying sulfate-conjugated bile acid and therefore MARUKIN SHOYU CO., LTD. (JP) 1999-07-06 US claimed
EP-0811692-A1 METHOD OF DETERMINING BILE ACID CONJUGATED WITH SULFURIC ACID AND KIT THEREFOR MARUKIN SHOYU CO., LTD. (JP) 1997-12-10 EP claimed
JP-6209793-A None JP disclosed
US-20240371475-A1 ARTIFICIAL INTELLIGENCE-BASED EVALUATION OF DRUG EFFICACY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-11-07 US disclosed
CN-113476589-A Use of peptides for the manufacture of a composition for the treatment of neurodegenerative diseases 珍白斯凯尔有限公司 2021-10-08 CN disclosed
CN-108431021-B Peptide having neuron loss prevention and regeneration effects and composition comprising the same 珍白斯凯尔有限公司 2021-09-07 CN disclosed
US-20180320217-A1 METHODS FOR SAMPLING AND MEASURING ORAL LAVAGE PROTEINS THE PROCTER & GAMBLE COMPANY 2018-11-08 US disclosed
US-20180318383-A1 PEPTIDE HAVING NEURONAL LOSS PREVENTION AND REGENERATION EFFECTS, AND COMPOSITION CONTAINING SAME GEMVAX & KAEL CO., LTD. (KR) 2018-11-08 US disclosed
EP-3372613-A1 PEPTIDE HAVING NEURONAL LOSS PREVENTION AND REGENERATION EFFECTS, AND COMPOSITION CONTAINING SAME Gemvax & Kael Co., Ltd. (KR) 2018-09-12 EP disclosed
WO-2008090517-A2 ENRICHED PLANT EXTRACT, COMPOUND, AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-07-31 WO disclosed
US-20040043376-A1 Method and test strips for the measurement of fat loss during weight loss programs GUPTA SURENDRA (US) 2004-03-04 US disclosed
US-6569304-B1 Planar open reference electrode for use in voltammeric measuring chains SENSLAB GESELLSCHAFT ZUR ENTWICKLUNG UND HERSTELLUNG BIOELEKTROCHEMISCHER SENSOREN MBH (DE) 2003-05-27 US disclosed
EP-0811692-B1 METHOD OF DETERMINING BILE ACID CONJUGATED WITH SULFURIC ACID AND KIT THEREFOR MARUKIN SHOYU KK (JP) 2002-04-24 EP disclosed
EP-1045244-A1 Planar open reference electrodes for use in voltammetric measuring systems Senslab Gesellschaft zur Entwicklung und Herstellung Bioelektrochemischer Sensoren mbH (DE) 2000-10-18 EP disclosed
US-5919644-A Method for assaying sulfate-conjugated bile acid and therefore MARUKIN SHOYU CO., LTD. (JP) 1999-07-06 US disclosed
EP-0811692-A1 METHOD OF DETERMINING BILE ACID CONJUGATED WITH SULFURIC ACID AND KIT THEREFOR MARUKIN SHOYU CO., LTD. (JP) 1997-12-10 EP disclosed
US-5624813-A PEROXIDASES, OXIDOREDUCTASES MAHANT, VIJAY K. 1997-04-29 US disclosed
WO-1995029255-A1 LUMINESCENCE-BASED DIAGNOSTICS MEDILITE DIAGNOSTIKA (US) 1995-11-02 WO disclosed
JP-H06209793-A METHOD FOR MEASURING SORBITOL AND ITS COMPOSITION TOYOBO CO LTD 1994-08-02 JP disclosed