SCHEMBL6085671

SCHEMBL6085671

CCc1c(Oc2cc(C)cc(C)c2)n(Cc2cccnc2)c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 9/20 0.44
GRIN2B Q13224 9/20 0.44
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
PKM P14618 1/20 0.38
MAPK10 P53779 1/20 0.38
TLR7 Q9NYK1 3/20 0.38
CYBB P04839 1/20 0.38
NOX4 Q9NPH5 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
SCHEMBL6086864 0.87 HPGD (0.44) ALDH1A1HPGDPOLBMAPK1TLR7
SCHEMBL6087044 0.85 SMN1; SMN2 (0.37) ALDH1A1HPGD
SCHEMBL6086769 0.84 GRIN1 (0.43) GRIN1GRIN2BALDH1A1HPGDPOLB
SCHEMBL7847304 0.83 GRIN1 (0.44) GRIN1GRIN2BGABRA1GABRA5PKM
SCHEMBL6087014 0.82 DAO (0.46) ALDH1A1HPGDMAPK1
SCHEMBL6086483 0.82 MTNR1A (0.50) GRIN1GRIN2BALDH1A1POLB
SCHEMBL6088051 0.81 GRIN1 (0.45) GRIN1GRIN2BGABRA5TLR7NOX4
SCHEMBL10204457 0.81 TPH1 (0.35) GRIN1GRIN2BALDH1A1HPGD
SCHEMBL6086259 0.81 GRIN1 (0.37) GRIN1GRIN2BALDH1A1HPGD
SCHEMBL6086604 0.81 DRD1 (0.33) ALDH1A1HPGD

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