SCHEMBL24349461

SCHEMBL24349461

Cc1nc(S(C)(=O)=O)ncc1-c1cc(I)no1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TLR9 Q9NR96 1/20 0.32
PIK3CD O00329 4/20 0.32
PIK3CB P42338 4/20 0.32
PIK3CG P48736 4/20 0.32
PTGS2 P35354 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL29519886 0.74 PIK3CD (0.39) TP53ALDH1A1MAPTPIK3CDPIK3CB
SCHEMBL26185436 0.74 PIK3CD (0.39) TP53ALDH1A1MAPTPIK3CDPIK3CB
SCHEMBL26185427 0.72 TMEM97 (0.52) PIK3CDPIK3CBPIK3CG
SCHEMBL29520150 0.72 TMEM97 (0.52) PIK3CDPIK3CBPIK3CG
SCHEMBL1753652 0.66 LMNA (0.39) TP53NPC1ALDH1A1MAPTXBP1
SCHEMBL2350715 0.65 MAPT (0.42) TP53NPC1ALDH1A1MAPTXBP1
SCHEMBL4018186 0.65 KDM4E (0.42) ALDH1A1PIK3CDPIK3CBPIK3CG
SCHEMBL15035940 0.64 ALDH1A1 (0.40) TP53NPC1ALDH1A1MAPTXBP1
SCHEMBL22673994 0.64 TP53 (0.40) TP53NPC1ALDH1A1MAPTXBP1
SCHEMBL16192818 0.63 TP53 (0.40) TP53NPC1ALDH1A1MAPTXBP1

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
WO-2022053803-A1 HERBICIDAL PYRIMIDINE DERIVATIVES MOA Technology Limited (GB) 2022-03-17 WO disclosed