SCHEMBL6636828

SCHEMBL6636828

CCc1c(Nc2cc(C)cc(C)c2)n(Cc2ccncc2)c(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.39
P2RX3 P56373 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 4/20 0.36
TSHR P16473 2/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
PSMD14 O00487 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
KDM5A P29375 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL6636341 0.83 TYMS (0.39) TYMSP2RX3MEN1KMT2AKDM4E
SCHEMBL1484512 0.77 SMN1; SMN2 (0.35) MEN1KMT2AKDM4ETSHRHPGD
SCHEMBL1484755 0.76 SMN1; SMN2 (0.35) MEN1KMT2AKDM4ETSHRHPGD
SCHEMBL1484757 0.76 SMN1; SMN2 (0.35) MEN1KMT2AKDM4ETSHRHPGD
SCHEMBL6636897 0.69 RAB9A (0.37) TYMSMEN1KMT2AKDM4EHPGD
SCHEMBL4864080 0.67 TYMS (0.48) TYMSMEN1KMT2AKDM4ETSHR
SCHEMBL6086864 0.67 HPGD (0.44) MEN1KMT2AKDM4ETSHRPSMD14
SCHEMBL6086545 0.67 HPGD (0.43) MEN1KMT2AKDM4ETSHRPSMD14
SCHEMBL6087483 0.67 MEN1 (0.43) MEN1KMT2AKDM4ETSHRPSMD14
SCHEMBL6085671 0.67 GRIN1 (0.44) HPGDMAPK1POLBALDH1A1TLR7

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-1159271-B1 ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2004-08-25 EP disclosed