SCHEMBL8086835

SCHEMBL8086835

OCc1csc(-c2ccccn2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.58
KDM4E B2RXH2 7/20 0.51
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
HSD17B10 Q99714 2/20 0.51
PKM P14618 1/20 0.51
GFER P55789 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
NUDT1 P36639 1/20 0.50
CYP19A1 P11511 1/20 0.50
MAPK1 P28482 2/20 0.48
SRC P12931 3/20 0.47
CDK2 P24941 3/20 0.47
ZAP70 P43403 3/20 0.47
SYK P43405 3/20 0.47
NPC1 O15118 2/20 0.46
ATM Q13315 1/20 0.46
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL8234751 0.83 PDE10A (0.63) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL1893656 0.83 PDE10A (0.58) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL19327449 0.81 LMNA (0.54) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL6378638 0.81 PDE10A (0.55) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL12862618 0.80 PDE10A (0.58) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL27526928 0.78 PDE10A (0.53) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL8091093 0.77 HRH1 (0.54) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL1205231 0.77 PDE10A (0.55) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL8656611 0.77 PDE10A (0.51) PDE10AKDM4ERAB9AALDH1A1MAPT
SCHEMBL28218070 0.77 PDE10A (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO disclosed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP disclosed