SCHEMBL6087076

SCHEMBL6087076

Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cccnc2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.43
GRIN2B Q13224 6/20 0.43
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
TLR7 Q9NYK1 3/20 0.39
PKM P14618 1/20 0.38
PRNP P04156 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRA5 P31644 1/20 0.37
VNN1 O95497 1/20 0.37

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
SCHEMBL6637345 0.89 GAA (0.39) HPGDPOLBTLR7PKMKDM4E
SCHEMBL6089258 0.87 KMT2A (0.41) HPGDALDH1A1POLBTLR7PKM
SCHEMBL6088109 0.86 KMT2A (0.37) HPGDALDH1A1POLBPKMKDM4E
SCHEMBL6087630 0.86 GRIN1 (0.44) GRIN1GRIN2BHPGDALDH1A1POLB
SCHEMBL6640101 0.84 GRIN1 (0.33) GRIN1GRIN2BHPGDALDH1A1POLB
SCHEMBL7837543 0.84 GRIN1 (0.43) GRIN1GRIN2BPOLBTLR7PKM
SCHEMBL6634103 0.83 KMT2A (0.38) HPGDALDH1A1POLBTLR7KDM4E
SCHEMBL6086464 0.83 DAO (0.44) HPGDALDH1A1TLR7PKMKDM4E
SCHEMBL10204262 0.82 KMT2A (0.35) GRIN1GRIN2BPOLBTLR7GABRA1
SCHEMBL6636863 0.82 GRIN1 (0.44) GRIN1GRIN2BALDH1A1POLBTLR7

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