SCHEMBL27242575

SCHEMBL27242575

Cc1cccc2nn(CC3CCOCC3)c(C(=O)Nc3cccc(S(N)(=O)=O)c3)c12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 8/20 0.46
USP2 O75604 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 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
SCHEMBL27242503 0.90 SCN10A (0.46) SCN10ACA1CA2CA12CA9
SCHEMBL27242513 0.89 SCN10A (0.44) SCN10ACA1CA2CA12CA9
SCHEMBL27242598 0.87 SCN10A (0.50) SCN10ACA1CA2CA12CA9
SCHEMBL27242479 0.86 ALDH1A1 (0.44) SCN10AUSP2CA1CA2CA12
SCHEMBL24906473 0.86 CA1 (0.48) SCN10AUSP2CA1CA2CA12
SCHEMBL30895717 0.83 CREBBP (0.43) SCN10AKMT2AALDH1A1KDM4EROCK2
SCHEMBL27242584 0.82 ROCK1 (0.49) SCN10ACA1CA2CA12CA9
SCHEMBL30895664 0.79 KDM4E (0.42) SCN10ACA1CA2CA12CA9
SCHEMBL27242530 0.79 PTGER4 (0.51) SCN10ACA1CA2CA12CA9
SCHEMBL30895659 0.79 IDH1 (0.49) SCN10AKMT2AALDH1A1KDM4EMAPT

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