SCHEMBL3210209

SCHEMBL3210209

CS(=O)(=O)c1nc[c]c(C(N)=O)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR9 Q9NR96 1/20 0.33
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL10882925 0.72 LMNA (0.35) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL12970649 0.72
SCHEMBL3221058 0.70 KMT2A (0.37)
SCHEMBL3214580 0.69 MAP4K4 (0.31)
SCHEMBL1490115 0.67 IRAK4 (0.38) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL29472080 0.67 IRAK4 (0.38) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL12970617 0.67 MYC (0.30)
SCHEMBL31461745 0.66 TP53 (0.49) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL13736275 0.64 NNMT (0.44) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL15286672 0.64 MAPT (0.62) NPC1ALDH1A1TP53MAPTXBP1

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
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO disclosed