SCHEMBL11167751

SCHEMBL11167751

C/C=C(\c1ccccc1)c1ccc2nc(N)n(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 10/20 0.59
CXCL8 P10145 4/20 0.59
PI4KB Q9UBF8 1/20 0.52
NOD2 Q9HC29 2/20 0.51
GAA P10253 1/20 0.51
ALDH3A1 P30838 2/20 0.48
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK14 Q16539 2/20 0.37
CYP3A4 P08684 1/20 0.37
HTT P42858 2/20 0.37
SRC P12931 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL11167754 1.00 NOD1 (0.59) NOD1CXCL8PI4KBNOD2GAA
SCHEMBL11156270 0.90 NOD1 (0.57) NOD1CXCL8PI4KBNOD2GAA
SCHEMBL11148706 0.90 NOD1 (0.57) NOD1CXCL8PI4KBNOD2GAA
SCHEMBL11156272 0.90 NOD1 (0.57) NOD1CXCL8PI4KBNOD2GAA
SCHEMBL11148703 0.90 NOD1 (0.57) NOD1CXCL8PI4KBNOD2GAA
SCHEMBL11160449 0.87 NOD1 (0.54) NOD1CXCL8PI4KBNOD2GAA
SCHEMBL11160447 0.87 NOD1 (0.54) NOD1CXCL8PI4KBNOD2GAA
Enviradene SCHEMBL10429408 0.85 PI4KB (0.71) PI4KBMAPK14CYP3A4
Enviradene SCHEMBL10429409 0.85 PI4KB (0.71) PI4KBMAPK14CYP3A4
SCHEMBL11147024 0.85 PI4KB (0.51) NOD1CXCL8PI4KBNOD2GAA

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-0091794-A1 Process for preparing 1.6-disubstituted 2-aminobenzimidazoles ELI LILLY AND COMPANY (US) 1983-10-19 EP disclosed