SCHEMBL2035449

SCHEMBL2035449

Cc1cccn2nc(C#Cc3nc(-c4ccccc4)cn3C)nc12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 18/20 0.58
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL2035034 0.87 PDE10A (0.57) PDE10AKDM4ENPC1ALDH1A1TP53
SCHEMBL2041258 0.87 PDE10A (0.54) PDE10AKDM4ENPC1ALDH1A1TP53
SCHEMBL2038023 0.85 PDE10A (0.53) PDE10AKDM4ENPC1ALDH1A1TP53
SCHEMBL2041707 0.85 PDE10A (0.57) PDE10A
SCHEMBL2051643 0.85 PDE10A (0.58) PDE10A
SCHEMBL2035589 0.84 PDE10A (0.51) PDE10A
SCHEMBL2039532 0.82 PDE10A (0.49) PDE10AKDM4ENPC1ALDH1A1HPGD
SCHEMBL2053912 0.81 PDE10A (0.57) PDE10AKDM4ENPC1ALDH1A1TP53
SCHEMBL2042164 0.79 PDE10A (0.51) PDE10A
SCHEMBL2038712 0.77 PDE10A (0.47) 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