SCHEMBL29045366

SCHEMBL29045366

Cc1ccc(N)cc1S(=O)(=O)O.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
RECQL P46063 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
POLB P06746 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
CASP6 P55212 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ELAVL1 Q15717 1/20 0.53
RAPGEF4 Q8WZA2 1/20 0.50
NSD2 O96028 1/20 0.47
APEX1 P27695 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
TSHR P16473 5/20 0.47
CASP1 P29466 4/20 0.47
ATIC P31939 1/20 0.46

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
SCHEMBL29648925 0.98 ALDH1A1 (0.54) ALDH1A1RECQLTDP1L3MBTL1POLB
SCHEMBL151537 0.98 ALDH1A1 (0.54) ALDH1A1RECQLTDP1L3MBTL1POLB
SCHEMBL8394451 0.96 ALDH1A1 (0.53) ALDH1A1RECQLTDP1L3MBTL1POLB
SCHEMBL4890522 0.86 ALDH1A1 (0.46) ALDH1A1RECQLTDP1L3MBTL1POLB
SCHEMBL14989103 0.84 L3MBTL1 (0.66) ALDH1A1RECQLTDP1L3MBTL1POLB
Acetoacetic Acid SCHEMBL11035462 0.82 ALDH1A1 (0.46) ALDH1A1RECQLTDP1L3MBTL1POLB
SCHEMBL9312016 0.82 ALDH1A1 (0.43) ALDH1A1RECQLTDP1L3MBTL1POLB
SCHEMBL158650 0.82 L3MBTL1 (0.68) ALDH1A1RECQLTDP1L3MBTL1POLB
SCHEMBL7099533 0.81 RAPGEF4 (0.55) ALDH1A1RECQLTDP1L3MBTL1POLB
SCHEMBL636186 0.81 L3MBTL1 (0.55) ALDH1A1RECQLTDP1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116322332-A Antipathogenic agent, antibacterial agent, antiviral agent, pathogen treatment device, method for producing antipathogenic agent, antibacterial method, virus inactivation method, and pathogen treatment method 株式会社ACENET 2023-06-23 CN disclosed