SCHEMBL27242598

SCHEMBL27242598

NS(=O)(=O)c1cccc(NC(=O)c2c3ccccc3nn2CC2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 3/20 0.50
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
PTGER4 P35408 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL27242584 0.95 ROCK1 (0.49) SCN10AROCK2ROCK1CA1CA2
SCHEMBL27242530 0.92 PTGER4 (0.51) SCN10AROCK2ROCK1CA1CA2
SCHEMBL27242579 0.91 PTGER4 (0.55) SCN10AROCK2ROCK1CA1CA2
SCHEMBL30895659 0.90 IDH1 (0.49) SCN10AROCK2ROCK1ALDH1A1KDM4E
SCHEMBL27242495 0.88 CA1 (0.45) SCN10AROCK2ROCK1CA1CA2
SCHEMBL27242479 0.87 ALDH1A1 (0.44) SCN10AROCK2ROCK1CA1CA2
SCHEMBL27242575 0.87 SCN10A (0.46) SCN10AROCK2ROCK1CA1CA2
SCHEMBL27242503 0.87 SCN10A (0.46) SCN10ACA1CA2CA12CA9
SCHEMBL30895664 0.86 KDM4E (0.42) SCN10ACA1CA2CA12CA9
SCHEMBL30895722 0.86 MAPT (0.46) SCN10AROCK2ROCK1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4385980-A1 INDAZOLES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2024-06-19 EP disclosed