SCHEMBL29567025

SCHEMBL29567025

CSc1cc(-c2ccccc2C)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
▸ NFKBIA P25963 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ EDNRA P25101 2/20 0.47
▸ DDX3X O00571 1/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 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
SCHEMBL24309598 1.00 LMNA (0.54) LMNANFKBIARELAALDH1A1MAPT
SCHEMBL26807044 0.90 LMNA (0.56) LMNANFKBIARELAALDH1A1MAPT
SCHEMBL29566406 0.87 LMNA (0.49) LMNANFKBIARELAALDH1A1MAPT
SCHEMBL26806641 0.87 LMNA (0.49) LMNANFKBIARELAALDH1A1MAPT
SCHEMBL29566518 0.86 LMNA (0.54) LMNANFKBIARELAALDH1A1MAPT
SCHEMBL24309597 0.86 LMNA (0.54) LMNANFKBIARELAALDH1A1MAPT
SCHEMBL24309602 0.83 PGR (0.56) LMNANFKBIARELAALDH1A1MAPT
SCHEMBL24309260 0.83 LMNA (0.49) LMNANFKBIARELAALDH1A1MAPT
SCHEMBL29566397 0.83 LMNA (0.49) LMNANFKBIARELAALDH1A1MAPT
SCHEMBL29568117 0.83 PGR (0.56) LMNANFKBIARELAALDH1A1MAPT

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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