SCHEMBL27242513

SCHEMBL27242513

COc1cccc2nn(CC3CCOCC3)c(C(=O)Nc3cccc(S(N)(=O)=O)c3)c12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.44
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
CA12 O43570 3/20 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
SCHEMBL27242575 0.89 SCN10A (0.46) SCN10ACA1CA2CA9CA12
SCHEMBL27242503 0.88 SCN10A (0.46) SCN10ACA1CA2CA9CA12
SCHEMBL27242598 0.85 SCN10A (0.50) SCN10ACA1CA2CA9CA12
SCHEMBL30895712 0.83 MET (0.43)
SCHEMBL24906473 0.82 CA1 (0.48) SCN10ACA1CA2CA9CA12
SCHEMBL27242584 0.80 ROCK1 (0.49) SCN10ACA1CA2CA9CA12
SCHEMBL27242479 0.79 ALDH1A1 (0.44) SCN10ACA1CA2CA9CA12
SCHEMBL30895664 0.77 KDM4E (0.42) SCN10ACA1CA2CA9CA12
SCHEMBL27242530 0.77 PTGER4 (0.51) SCN10ACA1CA2CA9CA12
SCHEMBL30895659 0.77 IDH1 (0.49) SCN10A

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