SCHEMBL29618312

SCHEMBL29618312

NS(=O)(=O)c1cccc(NC(=O)c2cnc3c(c2)C(C(F)(F)F)CC3)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.48
CA2 P00918 8/20 0.48
SCN10A Q9Y5Y9 7/20 0.47
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
KMT2A Q03164 2/20 0.45
CA9 Q16790 5/20 0.44
CA12 O43570 4/20 0.44
NR1I2 O75469 1/20 0.44
CACNA1C Q13936 1/20 0.44
MEN1 O00255 1/20 0.44
CA4 P22748 1/20 0.43
CA7 P43166 1/20 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
SCHEMBL29664409 0.77 CCNT1 (0.53) CA1CA2SCN10APOLBCASP6
SCHEMBL29618349 0.76 CA1 (0.51) CA1CA2SCN10APOLBCASP6
SCHEMBL29618384 0.73 CA1 (0.48) CA1CA2SCN10APOLBCASP6
SCHEMBL29618315 0.73 CA1 (0.51) CA1CA2SCN10APOLBCASP6
SCHEMBL24517809 0.73 SCN10A (0.65) SCN10ANR1I2CACNA1C
SCHEMBL24517795 0.73 SCN10A (0.65) SCN10ANR1I2CACNA1C
SCHEMBL29615059 0.73 CA1 (0.62) CA1CA2SCN10AKMT2ACA9
SCHEMBL29664582 0.72 P2RX4 (0.58) CA1CA2POLBCASP6CTDSP1
SCHEMBL14372337 0.71 CA1 (0.76) CA1CA2KMT2ACA9CA12
SCHEMBL30494258 0.71 BCAT1 (0.57) CA1CA2SCN10APOLBCASP6

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
CN-114591293-A Fused ring compound as Nav1.8 inhibitor and application thereof 成都康弘药业集团股份有限公司 2022-06-07 CN disclosed