SCHEMBL25826611

SCHEMBL25826611

COC(=O)c1ccc(Cl)cc1SN

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.63
NR4A2 P43354 2/20 0.48
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
GAA P10253 3/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 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
SCHEMBL4071201 0.85 ABL1 (0.60) ABL1NR4A2RXFP1MAPTL3MBTL1
SCHEMBL28440107 0.81 ABL1 (0.56) ABL1NR4A2RXFP1MAPTL3MBTL1
SCHEMBL9660296 0.78 ABL1 (0.53) ABL1NR4A2RXFP1MAPTL3MBTL1
SCHEMBL2473934 0.78 ABL1 (0.53) ABL1NR4A2RXFP1MAPTL3MBTL1
SCHEMBL9660294 0.78 ABL1 (0.53) ABL1NR4A2RXFP1MAPTL3MBTL1
SCHEMBL9323068 0.78 ABL1 (0.53) ABL1NR4A2RXFP1MAPTL3MBTL1
SCHEMBL6100118 0.78 ABL1 (0.70) ABL1NR4A2RXFP1MAPTL3MBTL1
SCHEMBL771687 0.77 ABL1 (1.00) ABL1NR4A2RXFP1MAPTSMN1; SMN2
SCHEMBL4068751 0.77 ABL1 (0.51) ABL1NR4A2RXFP1MAPTL3MBTL1
SCHEMBL7754027 0.77 HSD17B10 (0.62) MAPTL3MBTL1SMN1; SMN2RAB9ASLC6A4

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
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed