SCHEMBL2039532

SCHEMBL2039532

CC(=O)Nc1cccn2nc(C#Cc3nc(-c4ccccc4)cn3C)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.49
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 2/20 0.38
ADORA3 P0DMS8 4/20 0.38
ADORA2A P29274 3/20 0.38
ADORA1 P30542 4/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL2038930 0.84 PDE10A (0.45) PDE10ASMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL2041258 0.83 PDE10A (0.54) PDE10ASMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL2035449 0.82 PDE10A (0.58) PDE10ASMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL2035034 0.81 PDE10A (0.57) PDE10ASMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL2041707 0.79 PDE10A (0.57) PDE10A
SCHEMBL2038023 0.79 PDE10A (0.53) PDE10ASMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL2039086 0.79 PDE10A (0.36) PDE10A
SCHEMBL2035589 0.78 PDE10A (0.51) PDE10AMAP4K4CLK4
SCHEMBL2042164 0.73 PDE10A (0.51) PDE10A
SCHEMBL2051643 0.72 PDE10A (0.58) PDE10A

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
WO-2011072695-A1 PHENYLIMIDAZOLE DERIVATIVES COMPRISING AN ETHYNYLENE LINKER AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2011-06-23 WO claimed