SCHEMBL675949

SCHEMBL675949

COS(=O)(=O)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.58
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
IL1RN P18510 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
PGR P06401 2/20 0.46
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 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
Hydrochloric Acid SCHEMBL28137064 0.98 KEAP1 (0.56) KEAP1CA1CA2IL1RNERAP1
SCHEMBL2016598 0.81 KEAP1 (0.56) KEAP1CA1CA2IL1RNERAP1
SCHEMBL16175716 0.78 CA1 (0.37) KEAP1CA1CA2CA12CA9
SCHEMBL29380088 0.78 CA1 (0.66) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL11779981 0.77 KEAP1 (0.52) KEAP1CA1CA2IL1RNERAP1
SCHEMBL675156 0.77 KEAP1 (0.52) KEAP1CA1CA2IL1RNERAP1
SCHEMBL28983960 0.77 ALDH1A1 (0.49) KEAP1CA1CA2IL1RNERAP1
SCHEMBL3678785 0.77 CA1 (0.61) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL4575734 0.76 KEAP1 (0.50) KEAP1CA1CA2IL1RNERAP1
SCHEMBL1729178 0.76 KMT2A (0.53) KEAP1CA1CA2IL1RNERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117281115-A Free radical generating catalyst, method for producing free radical, method for producing oxidation reaction product, pharmaceutical agent, and agricultural and livestock pharmaceutical agent 株式会社ACENET 2023-12-26 CN disclosed
US-7968009-B2 Electrically conductive nanocomposite particles having a polyalkyl acrylate core and a polyaniline coating UPPA-UNIVERSITE DE PAU ET DES PAYS DE L'ADOUR (FR) 2011-06-28 US disclosed
US-20090212263-A1 ELECTRICALLY CONDUCTIVE NANOCOMPOSITE PARTICLES HAVING A POLYALKYL ACRYLATE CORE AND A POLYANILINE COATING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-08-27 US disclosed
US-4025301-A Azo dyes derived from 3-amino pyridine in hair dye compositions SOCIETE ANONYME DITE: L'OREAL (FR) 1977-05-24 US disclosed
US-3943153-A BACTERICIDES MERCK & CO., INC. (US) 1976-03-09 US disclosed