SCHEMBL6086706

SCHEMBL6086706

CCc1c(Sc2cc(C)cc(C)c2)n(CC2CCCCC2)c(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
TPH1 P17752 3/20 0.36
TPH2 Q8IWU9 3/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
MTOR P42345 4/20 0.33
PDE1A P54750 2/20 0.33
PDE1B Q01064 2/20 0.33
PDE1C Q14123 2/20 0.33
PIK3CA P42336 1/20 0.33
GSK3A P49840 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
MAPK9 P45984 1/20 0.32

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
SCHEMBL6086438 0.97 GRIN1 (0.39) GRIN1GRIN2BKMT2AMEN1TPH1
SCHEMBL6087415 0.94 GRIN1 (0.43) GRIN1GRIN2BKMT2AMEN1TPH1
SCHEMBL7847019 0.92 GRIN1 (0.34) GRIN1GRIN2BKMT2AMEN1TPH1
SCHEMBL7844956 0.89 GRIN1 (0.35) GRIN1GRIN2BKMT2AMEN1TPH1
SCHEMBL7073497 0.88 GRIN1 (0.35) GRIN1GRIN2BKMT2AMEN1SMN1; SMN2
SCHEMBL2469750 0.83 GRIN1 (0.38) GRIN1GRIN2BKMT2AMEN1TPH1
SCHEMBL2471911 0.82 GRIN1 (0.39) GRIN1GRIN2BKMT2AMEN1TPH1
SCHEMBL2471363 0.80 GRIN1 (0.39) GRIN1GRIN2BKMT2AMEN1TPH1
SCHEMBL2465342 0.79 SMN1; SMN2 (0.34) KMT2AMEN1SMN1; SMN2
SCHEMBL6087421 0.79 SMN1; SMN2 (0.37) GRIN1GRIN2BKMT2AMEN1TPH1

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