SCHEMBL7845277

SCHEMBL7845277

CCc1c(Sc2cc(C)cc(C)c2)[nH]c(=O)n(Cc2ccccn2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 0.45
GRIN2B Q13224 7/20 0.45
GABRA5 P31644 2/20 0.41
NOX4 Q9NPH5 4/20 0.41
GABRA1 P14867 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
GLA P06280 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AGTR1 P30556 2/20 0.38

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
SCHEMBL8183668 0.85 ALDH1A1 (0.42) TLR7ALDH1A1KDM4EHPGD
SCHEMBL7845199 0.84 GRIN1 (0.45) GRIN1GRIN2BGABRA5NOX4GABRA1
SCHEMBL7848188 0.84 TLR7 (0.33) GRIN1GRIN2BTLR7ALDH1A1KDM4E
SCHEMBL6086609 0.83 GRIN1 (0.45) GRIN1GRIN2BGABRA5NOX4GABRA1
SCHEMBL7846972 0.80 CYP1A2 (0.34) ALDH1A1KDM4EHPGD
SCHEMBL7836569 0.78 GRIN1 (0.45) GRIN1GRIN2BGABRA5NOX4TLR7
SCHEMBL7845869 0.78 GRIN1 (0.50) GRIN1GRIN2BNOX4
SCHEMBL7836075 0.77 RAB9A (0.38) GABRA5GABRA1ALDH1A1KDM4EHPGD
SCHEMBL7848121 0.76 HSD17B10 (0.49) GRIN1GRIN2BALDH1A1KDM4EHPGD
SCHEMBL7848958 0.76 GRIN1 (0.37) GRIN1GRIN2BALDH1A1KDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100786-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-05-23 EP disclosed
WO-2000061564-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-10-19 WO disclosed