SCHEMBL6087645

SCHEMBL6087645

CCc1c(Sc2cc(C)cc(C)c2)n(Cc2cccnc2)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 0.44
GRIN2B Q13224 7/20 0.44
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
TLR7 Q9NYK1 3/20 0.40
GFER P55789 1/20 0.39
GABRA1 P14867 3/20 0.39
GABRA5 P31644 3/20 0.39
ADORA3 P0DMS8 1/20 0.38
PKM P14618 1/20 0.38
MAPK10 P53779 1/20 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
SCHEMBL7849218 0.93 GRIN1 (0.39) GRIN1GRIN2BHPGDALDH1A1POLB
SCHEMBL6086545 0.87 HPGD (0.43) HPGDALDH1A1POLBMAPK1ADORA3
SCHEMBL6087421 0.85 SMN1; SMN2 (0.37) GRIN1GRIN2BHPGDALDH1A1MAPK1
SCHEMBL6086939 0.84 GRIN1 (0.43) GRIN1GRIN2BHPGDALDH1A1POLB
SCHEMBL6086507 0.81 DAO (0.45) HPGDALDH1A1MAPK1ADORA3
SCHEMBL6086609 0.81 GRIN1 (0.45) GRIN1GRIN2BMAPK1TLR7GABRA1
SCHEMBL6085656 0.81 SMN1; SMN2 (0.33) HPGDALDH1A1MAPK1ADORA3PKM
SCHEMBL6086770 0.81 GRIN1 (0.37) GRIN1GRIN2BALDH1A1PKM
SCHEMBL6088055 0.81 TYMS (0.38) HPGDMAPK1PKM
SCHEMBL6087289 0.80 MTNR1A (0.48) GRIN1GRIN2BHPGDPOLBADORA3

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