SCHEMBL7844829

SCHEMBL7844829

CCc1c(Oc2cc(C)cc(C)c2)[nH]c(=O)[nH]c1=O.CCc1c(Oc2cc(C)cc(C)c2)n(Cc2cccc(C#N)c2)c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.40
PIK3R1 P27986 3/20 0.40
PIK3CA P42336 3/20 0.40
GRIN1 Q05586 5/20 0.39
GRIN2B Q13224 5/20 0.39
GRM5 P41594 1/20 0.37
ROCK2 O75116 2/20 0.36
DRD4 P21917 1/20 0.36
IDH1 O75874 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.34
DAO P14920 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL6087695 0.93 GRIN1 (0.44) NR3C1PIK3R1PIK3CAGRIN1GRIN2B
SCHEMBL7852868 0.84 PIK3R1 (0.39) NR3C1PIK3R1PIK3CAGRIN1GRIN2B
SCHEMBL7851564 0.82 TYMP (0.32) NR3C1
SCHEMBL7843324 0.80 GRIN1 (0.41) GRIN1GRIN2B
SCHEMBL6087484 0.79 GRIN1 (0.43) PIK3R1PIK3CAGRIN1GRIN2BGRM5
SCHEMBL6086864 0.79 HPGD (0.44) POLBKMT2A
SCHEMBL6086483 0.79 MTNR1A (0.50) PIK3R1PIK3CAGRIN1GRIN2BPOLB
SCHEMBL6087044 0.78 SMN1; SMN2 (0.37) KMT2ADAO
SCHEMBL6087014 0.77 DAO (0.46) KMT2ADAO
SCHEMBL7850609 0.76 GRIN1 (0.38) GRIN1GRIN2BKMT2A

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