SCHEMBL27601599

SCHEMBL27601599

O=C(/C=C/C(=O)ONS(=O)(=O)c1cccnc1)ONS(=O)(=O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.49
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
PTGS2 P35354 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
CYP3A4 P08684 1/20 0.43
NAMPT P43490 2/20 0.42
MAPT P10636 2/20 0.42
GLO1 Q04760 1/20 0.42
SLC40A1 Q9NP59 1/20 0.42
NLRP3 Q96P20 1/20 0.41
SNCA P37840 1/20 0.41
NPC1 O15118 1/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL1925235 0.79 NAPRT (0.46) NAPRTSLC1A3SLC1A2SLC1A1PTGS2
SCHEMBL1925282 0.79 SLC1A3 (0.48) NAPRTSLC1A3SLC1A2SLC1A1PTGS2
SCHEMBL15881331 0.73 NAPRT (0.62) NAPRTSLC1A3SLC1A2SLC1A1PTGS2
SCHEMBL25394823 0.72 PTGS2 (0.62) NAPRTSLC1A3SLC1A2SLC1A1PTGS2
SCHEMBL28313674 0.72 KEAP1 (0.49) NAPRTSLC1A3SLC1A2SLC1A1KEAP1
SCHEMBL26282749 0.72 PTGS2 (0.54) NAPRTSLC1A3SLC1A2SLC1A1PTGS2
SCHEMBL30591339 0.72 PTGS2 (0.54) NAPRTSLC1A3SLC1A2SLC1A1PTGS2
SCHEMBL15625451 0.71 PTGS2 (0.56) NAPRTSLC1A3SLC1A2SLC1A1PTGS2
SCHEMBL7458599 0.71 PTGS2 (0.56) NAPRTSLC1A3SLC1A2SLC1A1PTGS2
SCHEMBL18709576 0.71 NAPRT (0.59) NAPRTSLC1A3SLC1A2SLC1A1PTGS2

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
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN disclosed