SCHEMBL9116764

SCHEMBL9116764

C[CH]C=Cc1csc(-c2ccccn2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.56
KDM4E B2RXH2 9/20 0.47
RAB9A P51151 6/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
HSD17B10 Q99714 3/20 0.47
PKM P14618 1/20 0.47
GFER P55789 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
CYP19A1 P11511 1/20 0.45
MAPK1 P28482 2/20 0.44
NPC1 O15118 4/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 3/20 0.37
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37

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
SCHEMBL2438256 0.78 PDE10A (0.58) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL6840490 0.73 PDE10A (1.00) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL30606303 0.73 PDE10A (1.00) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL1741719 0.72 CYP19A1 (0.79) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL16159960 0.70 PDE10A (0.48) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL13020808 0.69 PDE10A (0.64) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL15825002 0.69 PDE10A (0.64) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL252304 0.69 PDE10A (0.64) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL31341159 0.69 PDE10A (0.64) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL21366511 0.69 PDE10A (0.63) PDE10AKDM4ERAB9AALDH1A1MAPT

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-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO disclosed