SCHEMBL11200734

SCHEMBL11200734

CNc1nc(N2CCN(C=O)CC2)nc2sc(C)cc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH4 Q9H3N8 3/20 0.39
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
FLT3 P36888 1/20 0.32

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
SCHEMBL11205332 0.87 KDM4E (0.39) HTR3AMAPK1KDM4EALDH1A1MAPT
SCHEMBL11200654 0.85 HTR6 (0.42) HTR3AMAPK1KDM4EALDH1A1MAPT
SCHEMBL11204268 0.84 HRH4 (0.44) HTR3AMAPK1KDM4EALDH1A1MAPT
SCHEMBL11206200 0.83 HTR3A (0.38) HTR3AMAPK1KDM4EALDH1A1MAPT
SCHEMBL11204008 0.82 HCRTR1 (0.49) HTR3AMAPK1KDM4EALDH1A1MAPT
SCHEMBL11203060 0.81 KDM4E (0.37) HTR3AMAPK1KDM4EALDH1A1MAPT
SCHEMBL11202691 0.81 KHK (0.42) HTR3AKDM4EALDH1A1MAPTHRH4
Hydrochloric Acid SCHEMBL11201994 0.80 KHK (0.41) HTR3AKDM4EALDH1A1MAPTHRH4
SCHEMBL11205447 0.78 HRH4 (0.38) HTR3AMAPK1KDM4EALDH1A1MAPT
SCHEMBL11198545 0.76 HRH4 (0.42) HTR3AMAPK1KDM4EALDH1A1MAPT

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
EP-0082023-A2 Thienopyrimidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1983-06-22 EP disclosed