SCHEMBL29472136

SCHEMBL29472136

Cc1nc(S(C)(=O)=O)nc(Cl)c1Br

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CSNK2A1 P68400 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TLR9 Q9NR96 1/20 0.31

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
SCHEMBL9626462 1.00 LMNA (0.35) LMNASMN1; SMN2CA12CA2CA9
SCHEMBL9625868 0.78 LMNA (0.38) LMNASMN1; SMN2CA12CA2CA9
SCHEMBL7754111 0.78 LMNA (0.38) LMNASMN1; SMN2CA12CA2CA9
SCHEMBL10123082 0.78 LMNA (0.40) LMNASMN1; SMN2CA12CA2CA9
SCHEMBL9627425 0.77 LMNA (0.36) LMNASMN1; SMN2CA12CA2CA9
SCHEMBL12036842 0.75 SMN1; SMN2 (0.35) LMNASMN1; SMN2CA12CA2CA9
SCHEMBL13754207 0.75 LMNA (0.41) LMNASMN1; SMN2CA12CA2CA9
SCHEMBL25859859 0.75 SMN1; SMN2 (0.41) LMNASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL10951849 0.73 LMNA (0.34) LMNASMN1; SMN2CA12CA2CA9
SCHEMBL9626063 0.73 LMNA (0.34) LMNASMN1; SMN2CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908957-A Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-11-08 CN disclosed
CN-114222737-B Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-07-26 CN disclosed
CN-114222737-A Small molecule inhibitor of NF-kB induced kinase 詹森药业有限公司 2022-03-22 CN disclosed