SCHEMBL5728774

SCHEMBL5728774

O=Cc1cc(S(=O)(=O)O)ccc1O.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ERN1 O75460 11/20 0.53
PLCG1 P19174 1/20 0.51
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
CDK1 P06493 1/20 0.44
LMNA P02545 1/20 0.43
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
SERPINE1 P05121 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
SCHEMBL9149620 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10ERN1PLCG1KDM4E
SCHEMBL7842642 0.98 ALDH1A1 (0.55) ALDH1A1HSD17B10ERN1PLCG1KDM4E
SCHEMBL29949354 0.98 ALDH1A1 (0.55) ALDH1A1HSD17B10ERN1PLCG1KDM4E
SCHEMBL13799682 0.84 ERN1 (0.56) ERN1PLCG1CDK1TRIM24TRIM33
SCHEMBL28565819 0.84 ALDH1A1 (0.42) ALDH1A1HSD17B10ERN1PLCG1KDM4E
SCHEMBL30254122 0.82 CA2 (0.57) ERN1PLCG1KDM4ECDK1
SCHEMBL31696807 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10ERN1PLCG1KDM4E
SCHEMBL136274 0.81 ERN1 (0.53) ERN1PLCG1CDK1TRIM24TRIM33
SCHEMBL5728771 0.81 PLCG1 (0.69) ERN1PLCG1CDK1LMNATRIM24
SCHEMBL31347922 0.81 ERN1 (0.55) ERN1PLCG1KDM4ECDK1TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010661-A Preparation method of 7-chloroquinaldine 江西省化学工业研究所 2022-09-06 CN claimed
CN-113200890-B Water-soluble fluorescent probe ZY16 for detecting hypochlorite ions based on diaminomaleonitrile, and preparation method and application thereof 湖北理工学院 2022-06-28 CN disclosed
CN-113200890-A Water-soluble fluorescent probe ZY16 for detecting hypochlorite ions based on diaminomaleonitrile, and preparation method and application thereof 湖北理工学院 2021-08-03 CN disclosed
EP-1194514-B1 METAL COMPLEXES OF TRIPODAL LIGANDS CIBA SC HOLDING AG (CH) 2006-01-11 EP disclosed
US-6800775-B1 PROCESS FOR OXIDATION, WHICH COMPRISES OXIDIZING OXIDIZABLE SUBSTRATE WITH MIXTURE OF PEROXYGEN COMPOUND AND, AS OXIDATION CATALYST, MANGANESE(III) OR IRON(III) METAL COMPLEX CONTAINING SPECIFIED TRIPODAL LIGAND CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 US disclosed
EP-1194514-A1 METAL COMPLEXES OF TRIPODAL LIGANDS Ciba SC Holding AG (CH) 2002-04-10 EP disclosed
WO-2001005925-A1 METAL COMPLEXES OF TRIPODAL LIGANDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-01-25 WO disclosed