SCHEMBL11622012

SCHEMBL11622012

CCOC(=O)c1ccc2nc(N)n(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 11/20 0.55
CXCL8 P10145 4/20 0.55
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NOD2 Q9HC29 6/20 0.51
GAA P10253 1/20 0.51
PDE2A O00408 3/20 0.51
PI4KB Q9UBF8 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE10A Q9Y233 1/20 0.46
ALDH3A1 P30838 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 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
SCHEMBL11258832 0.82 PI4KB (0.59) ALDH1A1PDE2API4KBNPC1RAB9A
SCHEMBL11151131 0.82 PDE2A (0.45) ALDH1A1MAPTALOX15NPSR1PDE2A
SCHEMBL11733042 0.82 PDE2A (0.45) ALDH1A1MAPTALOX15NPSR1PDE2A
SCHEMBL11257304 0.81 PDE2A (0.44) ALDH1A1MAPTALOX15NPSR1PDE2A
SCHEMBL11621025 0.80 PDE2A (0.48) ALDH1A1MAPTALOX15NPSR1PDE2A
SCHEMBL11167751 0.79 NOD1 (0.59) NOD1CXCL8ALDH1A1NOD2GAA
SCHEMBL11167754 0.79 NOD1 (0.59) NOD1CXCL8ALDH1A1NOD2GAA
SCHEMBL11148706 0.76 NOD1 (0.57) NOD1CXCL8ALDH1A1MAPTNOD2
SCHEMBL11148703 0.76 NOD1 (0.57) NOD1CXCL8ALDH1A1MAPTNOD2
SCHEMBL11156270 0.76 NOD1 (0.57) NOD1CXCL8ALDH1A1NOD2GAA

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-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US claimed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed