SCHEMBL6636341

SCHEMBL6636341

Cc1cc(C)cc(Nc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccncc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
PSMD14 O00487 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
P2RX3 P56373 4/20 0.35
ALDH1A1 P00352 1/20 0.35
TLR7 Q9NYK1 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 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
SCHEMBL6636828 0.83 TYMS (0.39) TYMSMEN1KMT2AKDM4EPDGFRB
SCHEMBL6636897 0.83 RAB9A (0.37) TYMSMEN1KMT2AKDM4EHPGD
SCHEMBL6637345 0.77 GAA (0.39) TYMSMEN1KMT2AKDM4EPSMD14
SCHEMBL13956966 0.77 MAPT (0.33) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL1484558 0.76 ALDH1A1 (0.34) MEN1KMT2AKDM4EHPGDTSHR
SCHEMBL1484556 0.76 ALDH1A1 (0.34) MEN1KMT2AKDM4EHPGDTSHR
SCHEMBL501544 0.72 KDM4E (0.32) KDM4EHPGDALDH1A1GRIN1GRIN2B
SCHEMBL501776 0.71 TYMS (0.35) TYMSMEN1KMT2AKDM4EPSMD14
SCHEMBL501300 0.70 KDM4E (0.35) TYMSMEN1KMT2AKDM4EHPGD
SCHEMBL501116 0.68 TLR7 (0.35) TYMSMEN1KMT2AKDM4EPSMD14

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