SCHEMBL7841353

SCHEMBL7841353

CCc1c(C(=O)c2cc(C)cc(C)c2)[nH]c(=O)[nH]c1=O.CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2CCCCC2)c(=O)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
TPH1 P17752 2/20 0.34
TPH2 Q8IWU9 2/20 0.34
MTOR P42345 6/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
PIK3CA P42336 2/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
GBA1 P04062 1/20 0.32
MAPT P10636 1/20 0.32
GSK3A P49840 1/20 0.32
KDM4E B2RXH2 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7849809 0.95 GRIN1 (0.38) GRIN1GRIN2BTPH1TPH2KMT2A
SCHEMBL6088074 0.92 GRIN1 (0.39) GRIN1GRIN2BTPH1TPH2MTOR
SCHEMBL7067487 0.91 GRIN1 (0.39) GRIN1GRIN2BTPH1TPH2MTOR
SCHEMBL6087285 0.89 GRIN1 (0.39) GRIN1GRIN2BTPH1TPH2MTOR
SCHEMBL6087020 0.87 GRIN1 (0.43) GRIN1GRIN2BTPH1TPH2KMT2A
SCHEMBL7848991 0.83 MTOR (0.35) GRIN1GRIN2BTPH1TPH2MTOR
SCHEMBL7066678 0.81 HPGD (0.40) GRIN1GRIN2BKMT2AMEN1ALDH1A1
SCHEMBL675478 0.81 KMT2A (0.35) GRIN1GRIN2BKMT2AMEN1ALDH1A1
SCHEMBL7848699 0.80 GRIN1 (0.39) GRIN1GRIN2BTPH1TPH2MTOR
SCHEMBL8204210 0.80 HPGD (0.40) KMT2AMEN1ALDH1A1HPGDHSD17B10

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