SCHEMBL29566518

SCHEMBL29566518

Cc1ccccc1-c1cc(S(C)(=O)=O)nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ NFKBIA P25963 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ EDNRA P25101 2/20 0.47
▸ DDX3X O00571 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ EDNRB P24530 1/20 0.45
▸ TYMS P04818 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44

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
SCHEMBL24309597 1.00 LMNA (0.54) LMNAALDH1A1MAPTKDM4EKMT2A
SCHEMBL24298738 0.90 LMNA (0.56) LMNAALDH1A1MAPTKDM4EKMT2A
SCHEMBL29566410 0.87 LMNA (0.49) LMNAALDH1A1MAPTKDM4EKMT2A
SCHEMBL26806638 0.87 LMNA (0.49) LMNAALDH1A1MAPTKDM4EKMT2A
SCHEMBL29567025 0.86 LMNA (0.54) LMNAALDH1A1MAPTKDM4EKMT2A
SCHEMBL24309598 0.86 LMNA (0.54) LMNAALDH1A1MAPTKDM4EKMT2A
SCHEMBL24309260 0.83 LMNA (0.49) LMNAALDH1A1MAPTKDM4EKMT2A
SCHEMBL29568117 0.83 PGR (0.56) LMNAALDH1A1MAPTKDM4EKMT2A
SCHEMBL24309602 0.83 PGR (0.56) LMNAALDH1A1MAPTKDM4EKMT2A
SCHEMBL29566397 0.83 LMNA (0.49) LMNAALDH1A1MAPTKDM4EKMT2A

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
EP-4225763-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076626-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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