SCHEMBL7836833

SCHEMBL7836833

CCc1c(Sc2cc(C)cc(C)c2)[nH]c(=O)n(Cc2cccc(C#N)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.41
GRIN2B Q13224 5/20 0.41
IDH1 O75874 1/20 0.40
POLB P06746 1/20 0.39
ROCK2 O75116 2/20 0.39
DPP4 P27487 1/20 0.38
DRD4 P21917 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1C Q14123 1/20 0.38
PIK3R1 P27986 3/20 0.37
PIK3CA P42336 3/20 0.37
NR3C1 P04150 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL7848132 0.85 GRIN1 (0.40) GRIN1GRIN2BIDH1POLBROCK2
SCHEMBL8183668 0.85 ALDH1A1 (0.42) POLBKMT2A
SCHEMBL6087278 0.84 GRIN1 (0.41) GRIN1GRIN2BIDH1POLBROCK2
SCHEMBL7848121 0.83 HSD17B10 (0.49) GRIN1GRIN2BPOLBKMT2A
SCHEMBL7845869 0.82 GRIN1 (0.50) GRIN1GRIN2BDPP4
SCHEMBL7848958 0.79 GRIN1 (0.37) GRIN1GRIN2BROCK2KMT2A
SCHEMBL9009383 0.78 NOX4 (0.37) GRIN1
SCHEMBL7843309 0.77 HSD17B10 (0.38) GRIN1GRIN2BPOLBROCK2KMT2A
SCHEMBL7846972 0.76 CYP1A2 (0.34) POLBKMT2A
SCHEMBL7848188 0.76 TLR7 (0.33) GRIN1GRIN2BPOLBKMT2A

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