SCHEMBL30141377

SCHEMBL30141377

Cc1nn(CC2CCC(F)(F)C2)c(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 5/20 0.42
NR1I2 O75469 1/20 0.42
CACNA1C Q13936 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL24906241 1.00 SCN10A (0.42) SCN10ANR1I2CACNA1CCA12CA1
SCHEMBL24758289 0.88 SCN10A (0.45) SCN10ANR1I2CACNA1CCA12CA1
SCHEMBL24906419 0.85 SCN10A (0.45) SCN10ANR1I2CACNA1CCA12CA1
SCHEMBL24906520 0.85 SCN10A (0.43) SCN10ANR1I2CACNA1CCA12CA1
SCHEMBL24906338 0.85 SCN10A (0.43) SCN10ANR1I2CACNA1CCA12CA1
SCHEMBL24906523 0.85 SCN10A (0.43) SCN10ANR1I2CACNA1CCA12CA1
SCHEMBL24757353 0.83 SCN10A (0.48) SCN10ANR1I2CACNA1CCA12CA1
SCHEMBL24906501 0.83 SCN10A (0.43) SCN10ANR1I2CACNA1C
SCHEMBL24757351 0.83 CA1 (0.46) SCN10ANR1I2CACNA1CCA12CA1
SCHEMBL30895634 0.82 SCN10A (0.44) SCN10ANR1I2CACNA1CCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4355733-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2024-04-24 EP claimed
WO-2022263498-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2022-12-22 WO claimed
EP-4355733-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2024-04-24 EP disclosed
WO-2022263498-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2022-12-22 WO disclosed