SCHEMBL29196115

SCHEMBL29196115

O=[N+]([O-])c1cc(S(=O)(=O)O)cc(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
NSD2 O96028 1/20 0.56
PLCG1 P19174 1/20 0.56
DNMT1 P26358 1/20 0.56
CASP6 P55212 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
VCAM1 P19320 4/20 0.51
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA9 Q16790 6/20 0.45
CA12 O43570 5/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
MITF O75030 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.39

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
SCHEMBL30741188 1.00 GAA (0.56) GAANSD2PLCG1DNMT1CASP6
SCHEMBL19072196 0.91 GAA (0.61) GAANSD2PLCG1DNMT1CASP6
SCHEMBL28989085 0.83 GAA (0.53) GAANSD2PLCG1DNMT1CASP6
SCHEMBL25252706 0.82 VCAM1 (0.51) GAANSD2PLCG1DNMT1CASP6
SCHEMBL30489366 0.82 VCAM1 (0.51) GAANSD2PLCG1DNMT1CASP6
SCHEMBL25214451 0.82 CA2 (0.62) VCAM1ALDH1A1TDP1CA1CA2
SCHEMBL30460130 0.82 CA2 (0.62) VCAM1ALDH1A1TDP1CA1CA2
SCHEMBL29271863 0.80 GAA (0.50) GAANSD2PLCG1DNMT1CASP6
SCHEMBL1491246 0.80 VCAM1 (0.73) GAANSD2PLCG1DNMT1CASP6
SCHEMBL27752714 0.80 TDP1 (0.58) GAANSD2PLCG1DNMT1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486670-B Synthesis method of 3,4, 5-trifluoro-bromobenzene 山东国邦药业有限公司 2024-03-12 CN claimed
CN-117486670-A Synthesis method of 3,4, 5-trifluoro-bromobenzene 山东国邦药业有限公司 2024-02-02 CN claimed
CN-117486670-B Synthesis method of 3,4, 5-trifluoro-bromobenzene 山东国邦药业有限公司 2024-03-12 CN disclosed
CN-117486670-A Synthesis method of 3,4, 5-trifluoro-bromobenzene 山东国邦药业有限公司 2024-02-02 CN disclosed