SCHEMBL29567669

SCHEMBL29567669

CC(C)c1ccccc1-c1cc(OS(C)(=O)=O)nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PGR P06401 1/20 0.42
▸ DDX3X O00571 1/20 0.41
▸ NFKBIA P25963 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ AR P10275 1/20 0.41
▸ EDNRA P25101 1/20 0.41
▸ TYMS P04818 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL26806638 0.86 LMNA (0.49) LMNAALDH1A1KDM4EPGRDDX3X
SCHEMBL29566410 0.86 LMNA (0.49) LMNAALDH1A1KDM4EPGRDDX3X
SCHEMBL29566361 0.85 LMNA (0.41) LMNAALDH1A1KDM4EPGRDDX3X
SCHEMBL26806595 0.85 LMNA (0.47) LMNAALDH1A1KDM4EPGRDDX3X
SCHEMBL29566406 0.84 LMNA (0.49) LMNAALDH1A1KDM4EPGRDDX3X
SCHEMBL26806641 0.84 LMNA (0.49) LMNAALDH1A1KDM4EPGRDDX3X
SCHEMBL24309260 0.77 LMNA (0.49) LMNAALDH1A1KDM4EPGRDDX3X
SCHEMBL24309602 0.77 PGR (0.56) LMNAALDH1A1KDM4EPGRDDX3X
SCHEMBL29568117 0.77 PGR (0.56) LMNAALDH1A1KDM4EPGRDDX3X
SCHEMBL29566397 0.77 LMNA (0.49) LMNAALDH1A1KDM4EPGRDDX3X

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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