SCHEMBL29566653

SCHEMBL29566653

Cc1ccccc1-c1cc(Oc2ccc(CO)cc2)nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.48
▸ AR P10275 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ DDX3X O00571 1/20 0.42
▸ NFKBIA P25963 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ EDNRA P25101 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL24309286 1.00 PGR (0.48) PGRARLMNAALDH1A1KMT2A
SCHEMBL24309602 0.91 PGR (0.56) PGRARLMNAALDH1A1KMT2A
SCHEMBL29568117 0.91 PGR (0.56) PGRARLMNAALDH1A1KMT2A
SCHEMBL29567014 0.86 TSHR (0.39) PGRLMNAALDH1A1MAPTTDP1
SCHEMBL24309292 0.86 TSHR (0.39) PGRLMNAALDH1A1MAPTTDP1
SCHEMBL24309260 0.86 LMNA (0.49) PGRARLMNAALDH1A1KMT2A
SCHEMBL29566397 0.86 LMNA (0.49) PGRARLMNAALDH1A1KMT2A
SCHEMBL24310315 0.83 LMNA (0.46) PGRARLMNAALDH1A1KMT2A
SCHEMBL24309297 0.79 PGR (0.52) PGRARLMNAALDH1A1KMT2A
SCHEMBL29567154 0.79 PGR (0.52) PGRARLMNAALDH1A1KMT2A

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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