SCHEMBL30745864

SCHEMBL30745864

NC(=O)c1ccc(OCc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 1/20 0.76
PARP10 Q53GL7 8/20 0.68
MAOB P27338 7/20 0.67
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
PARP15 Q460N3 2/20 0.48
PARP14 Q460N5 2/20 0.48
F2 P00734 2/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
TMPRSS6 Q8IU80 1/20 0.48
ST14 Q9Y5Y6 1/20 0.48
NR4A2 P43354 1/20 0.47
PTPRC P08575 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL6000294 0.87 PTPRZ1 (1.00) PTPRZ1MAOBCA12CA1CA2
SCHEMBL3274502 0.84 PTPRZ1 (0.72) PTPRZ1MAOBMMP1MMP2MMP9
SCHEMBL2788803 0.82 CA2 (0.59) PTPRZ1PARP10CA12CA1CA2
SCHEMBL30576796 0.80 MAOB (1.00) PARP10MAOBNR4A2
SCHEMBL22721364 0.80 PARP10 (0.76) PARP10MAOBPARP15PARP14F2
SCHEMBL31530352 0.79 PARP10 (0.73) PARP10MAOBPARP15PARP14F2
SCHEMBL5431855 0.78 KIF11 (0.64) CA12CA1CA2CA9
SCHEMBL6002339 0.77 PTPRZ1 (0.78) PTPRZ1MAOBCA12CA1CA2
SCHEMBL30745904 0.77 PTPRZ1 (0.72) PTPRZ1PARP10MAOBPARP15PARP14
SCHEMBL11117974 0.75 PARP10 (0.83) PARP10MAOBF2PRSS1PRSS2

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-117682973-A Sulfonamide compound and medical application thereof 中国药科大学 2024-03-12 CN disclosed