SCHEMBL3712552

SCHEMBL3712552

CC(C)n1ccc2cc(C(N)=S)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
PLAU P00749 4/20 0.38
PLG P00747 3/20 0.38
MAPK14 Q16539 2/20 0.36
MAOB P27338 1/20 0.36
EPHX2 P34913 1/20 0.35
PPARG P37231 1/20 0.35
PRKCI P41743 1/20 0.35
HCAR3 P49019 1/20 0.34
ASH1L Q9NR48 1/20 0.34
ROCK2 O75116 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
MAPK11 Q15759 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4740640 0.79 HCAR3 (0.55) MAPK14EPHX2PPARGHCAR3MAPK11
SCHEMBL7873400 0.78 SLC9A1 (0.46)
Hydrochloric Acid SCHEMBL7880715 0.77 SLC9A1 (0.46)
SCHEMBL16595470 0.76 HCAR3 (0.42) MAPK14EPHX2PPARGHCAR3MAPK11
SCHEMBL28265716 0.75 MAPK14 (0.39) MAPK14EPHX2PPARGHCAR3MAPK11
SCHEMBL7880047 0.75 KDM4E (0.49) HTTMAPK14EPHX2PPARGMAPK11
SCHEMBL23658023 0.74 PLAU (0.51) PLAUPLGASH1LSMN1; SMN2
SCHEMBL3481264 0.74 PRKCI (0.58) MAPK14PRKCI
SCHEMBL21244767 0.74 KDM4E (0.39) MAPK14SMN1; SMN2
SCHEMBL23054216 0.74 TP53 (0.46) MAPK14MAOBEPHX2PPARGMAPK11

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
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed