SCHEMBL29618315

SCHEMBL29618315

CC1CCc2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cnc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.51
CA2 P00918 10/20 0.51
POLB P06746 1/20 0.50
CASP6 P55212 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
CA9 Q16790 7/20 0.47
CA12 O43570 6/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
BRAF P15056 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL29664713 0.83 CA1 (0.50) CA1CA2POLBCASP6CTDSP1
SCHEMBL29618387 0.81 CA1 (0.50) CA1CA2POLBCASP6CTDSP1
SCHEMBL29664409 0.79 CCNT1 (0.53) CA1CA2POLBCASP6CTDSP1
SCHEMBL29618336 0.78 CA1 (0.52) CA1CA2POLBCASP6CTDSP1
SCHEMBL29618358 0.75 CA1 (0.47) CA1CA2POLBCASP6CTDSP1
SCHEMBL29618349 0.74 CA1 (0.51) CA1CA2POLBCASP6CTDSP1
SCHEMBL29618312 0.73 CA1 (0.48) CA1CA2POLBCASP6CTDSP1
SCHEMBL30494258 0.73 BCAT1 (0.57) CA1CA2POLBCASP6CTDSP1
SCHEMBL2871965 0.73 CA1 (0.72) CA1CA2POLBCASP6CTDSP1
SCHEMBL10248292 0.72 KMT2A (0.60) CA1CA2POLBCASP6CTDSP1

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