SCHEMBL370906

SCHEMBL370906

Cc1cc2c3ccccc3nc(SCc3cn4cccnc4n3)n2n1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.71
ALDH1A1 P00352 9/20 0.55
KDM4E B2RXH2 9/20 0.55
HPGD P15428 5/20 0.55
HSD17B10 Q99714 5/20 0.55
LMNA P02545 2/20 0.55
NPC1 O15118 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PKM P14618 2/20 0.51
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL369760 0.83 PDE10A (1.00) PDE10AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL363902 0.77 PDE10A (0.67) PDE10A
SCHEMBL363830 0.72 PDE10A (0.69) PDE10AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL361777 0.71 PDE10A (0.68) PDE10AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL368463 0.71 PDE10A (0.78) PDE10A
SCHEMBL260106 0.70 PDE10A (1.00) PDE10AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL369825 0.68 PDE10A (0.53) PDE10AKDM4ENPC1PKMRAB9A
SCHEMBL370737 0.67 PDE10A (1.00) PDE10ANPC1SMN1; SMN2RAB9A
SCHEMBL363353 0.65 PDE10A (1.00) PDE10A
SCHEMBL364056 0.64 PDE10A (0.50) PDE10ASMN1; SMN2

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-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 WO claimed