SCHEMBL363830

SCHEMBL363830

Cc1cc2c3ccccc3nc(SCc3nc4ccccc4n3C)n2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.69
POLB P06746 1/20 0.63
GAA P10253 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
TSHR P16473 2/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL364108 0.82 PDE10A (1.00) PDE10APOLB
SCHEMBL368463 0.81 PDE10A (0.78) PDE10A
SCHEMBL363902 0.78 PDE10A (0.67) PDE10A
SCHEMBL363611 0.77 PDE10A (0.62) PDE10APOLBGAACYP1A2CYP3A4
SCHEMBL361777 0.76 PDE10A (0.68) PDE10AGAACYP1A2CYP3A4CYP2D6
SCHEMBL363353 0.76 PDE10A (1.00) PDE10A
SCHEMBL16770074 0.74 POLB (0.74) PDE10APOLBGAACYP1A2CYP3A4
SCHEMBL361704 0.73 PDE10A (0.60) PDE10A
SCHEMBL364104 0.72 PDE10A (0.59) PDE10AKDM4E
SCHEMBL370906 0.72 PDE10A (0.71) PDE10AGAAALDH1A1PKMKDM4E

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