SCHEMBL6088087

SCHEMBL6088087

Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 9/20 0.45
GRIN2B Q13224 9/20 0.45
NOX4 Q9NPH5 3/20 0.40
TLR7 Q9NYK1 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
TPH1 P17752 1/20 0.37
TPH2 Q8IWU9 1/20 0.37
DAO P14920 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6086605 0.85 HPGD (0.42) TLR7TPH1TPH2KDM4EALDH1A1
SCHEMBL6086609 0.84 GRIN1 (0.45) GRIN1GRIN2BNOX4TLR7GABRA1
SCHEMBL6086685 0.84 HPGD (0.33) TLR7TPH1TPH2KDM4EALDH1A1
SCHEMBL7845199 0.84 GRIN1 (0.45) GRIN1GRIN2BNOX4TLR7GABRA1
SCHEMBL6088008 0.83 DPP4 (0.36) TPH1TPH2KDM4EALDH1A1HPGD
SCHEMBL6086939 0.82 GRIN1 (0.43) GRIN1GRIN2BNOX4TLR7GABRA1
SCHEMBL6086546 0.81 TPH1 (0.34) GRIN1GRIN2BTLR7TPH1TPH2
SCHEMBL6086282 0.80 DAO (0.45) TLR7DAOKDM4EALDH1A1HPGD
SCHEMBL6087851 0.80 GRIN1 (0.45) GRIN1GRIN2BNOX4TLR7TPH1
SCHEMBL6086314 0.80 HTT (0.33) TLR7DAOKDM4EALDH1A1HPGD

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
US-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed