SCHEMBL29566547

SCHEMBL29566547

Cc1cccc(Cl)c1Oc1cc(Cl)nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NFKBIA P25963 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ EDNRA P25101 2/20 0.46
▸ PGR P06401 1/20 0.45
▸ FBP1 P09467 1/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ EDNRB P24530 1/20 0.45
▸ KDM1A O60341 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43

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
SCHEMBL24309308 1.00 LMNA (0.51) LMNAL3MBTL1NFKBIARELAALDH1A1
SCHEMBL24310315 0.89 LMNA (0.46) LMNAL3MBTL1NFKBIARELAALDH1A1
SCHEMBL29566909 0.87 LMNA (0.52) LMNAL3MBTL1NFKBIARELAALDH1A1
SCHEMBL24309251 0.87 LMNA (0.52) LMNAL3MBTL1NFKBIARELAALDH1A1
SCHEMBL24309706 0.84 LMNA (0.42) LMNAL3MBTL1NFKBIARELAALDH1A1
SCHEMBL29567052 0.83 ALDH1A1 (0.60) LMNANFKBIARELAALDH1A1KDM4E
SCHEMBL24298639 0.83 ALDH1A1 (0.60) LMNANFKBIARELAALDH1A1KDM4E
SCHEMBL29566554 0.83 PGR (0.64) LMNAL3MBTL1NFKBIARELAALDH1A1
SCHEMBL24309294 0.83 PGR (0.64) LMNAL3MBTL1NFKBIARELAALDH1A1
SCHEMBL24330660 0.82 LMNA (0.55) LMNAL3MBTL1NFKBIARELAALDH1A1

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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