SCHEMBL711978

SCHEMBL711978

CCC(=O)NNC(=S)NC.COC(=O)c1cc(OCC(=O)O)cc(OCc2ccccc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.42
LMNA P02545 2/20 0.42
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAOB P27338 2/20 0.40
ALDH1A1 P00352 6/20 0.39
CYP1A2 P05177 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP15 Q460N3 2/20 0.38
PARP10 Q53GL7 2/20 0.38
PARP14 Q460N5 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL10206851 0.92 LMNA (0.47) GCKLMNARARARARBRARG
SCHEMBL712175 0.86 GCK (0.53) GCKLMNARARARARBRARG
SCHEMBL14505835 0.78 MAOB (0.59) GCKLMNARARARARBRARG
SCHEMBL14505834 0.76 GCK (0.57) GCKLMNARARARARBRARG
SCHEMBL711371 0.74 MAOB (0.56) GCKLMNARARARARBRARG
SCHEMBL712993 0.74 MAOB (0.47) GCKLMNARARARARBRARG
SCHEMBL12615603 0.73 GCK (0.63) GCKRARARARBRARGMAOB
SCHEMBL2650147 0.72 MAOB (0.52) GCKLMNARARARARBRARG
SCHEMBL1528278 0.70 GCK (0.52) GCKRARARARBRARGMAOB
SCHEMBL1528276 0.70 GCK (0.52) GCKRARARARBRARGMAOB

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
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed