SCHEMBL29618356

SCHEMBL29618356

NS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=C=O)CC3)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.57
CA2 P00918 11/20 0.57
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
CA9 Q16790 7/20 0.50
CA12 O43570 3/20 0.50
POLB P06746 1/20 0.50
CASP6 P55212 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
MAPT P10636 1/20 0.46
P2RX4 Q99571 1/20 0.45
P2RX7 Q99572 1/20 0.45

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
SCHEMBL29618384 0.82 CA1 (0.48) CA1CA2KMT2AMEN1CA9
SCHEMBL29618325 0.79 KMT2A (0.71) CA1CA2KMT2AMEN1CA9
SCHEMBL13764406 0.76 MEN1 (0.76) CA1CA2KMT2AMEN1CA9
SCHEMBL29618348 0.76 NPC1 (0.57) CA1CA2KMT2AMEN1CA9
SCHEMBL14372369 0.75 CA1 (0.76) CA1CA2KMT2AMEN1CA9
SCHEMBL14372362 0.75 CA1 (0.77) CA1CA2KMT2AMEN1CA9
SCHEMBL14372342 0.75 CA1 (0.71) CA1CA2KMT2AMEN1CA9
SCHEMBL29618343 0.74 CA1 (0.57) CA1CA2KMT2AMEN1CA9
SCHEMBL14372384 0.74 CA1 (0.67) CA1CA2KMT2AMEN1CA9
SCHEMBL14372393 0.74 MEN1 (0.72) CA1CA2KMT2AMEN1CA9

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
WO-2022121805-A1 FUSED RING COMPOUND AS NAV1.8 INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2022-06-16 WO disclosed
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