SCHEMBL11166142

SCHEMBL11166142

C=C(c1ccccc1)c1ccc2nc(N)n(S(=O)(=O)C3CCCCC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.49
CYP3A4 P08684 4/20 0.49
PI4KB Q9UBF8 1/20 0.47
NOD1 Q9Y239 5/20 0.38
CXCL8 P10145 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35
TNK2 Q07912 1/20 0.34
NOD2 Q9HC29 2/20 0.33
GAA P10253 2/20 0.33

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
SCHEMBL11148283 0.88 CYP3A4 (0.49) MAPK14CYP3A4PI4KBNOD1CXCL8
SCHEMBL4837158 0.88 MAPK14 (0.51) MAPK14CYP3A4PI4KBNOD1CXCL8
SCHEMBL11153060 0.84 MAPK14 (0.49) MAPK14CYP3A4PI4KBNOD1CXCL8
SCHEMBL11153061 0.84 MAPK14 (0.49) MAPK14CYP3A4PI4KBNOD1CXCL8
SCHEMBL11150871 0.83 PI4KB (0.46) MAPK14CYP3A4PI4KBNOD1CXCL8
SCHEMBL11150880 0.83 PI4KB (0.46) MAPK14CYP3A4PI4KBNOD1CXCL8
SCHEMBL11156981 0.82 MAPK14 (0.45) MAPK14CYP3A4PI4KBNOD1CXCL8
SCHEMBL11156976 0.82 MAPK14 (0.45) MAPK14CYP3A4PI4KBNOD1CXCL8
SCHEMBL11073939 0.79 PI4KB (0.72) MAPK14CYP3A4PI4KB
SCHEMBL11144960 0.79 PI4KB (0.52) MAPK14CYP3A4PI4KBNOD1CXCL8

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