SCHEMBL8204878

SCHEMBL8204878

Cc1cc(C)cc(C(=O)c2[nH]c(=O)[nH]c(=O)c2C(C)C)c1.Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC(=O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.37
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ELANE P08246 1/20 0.32
PTGS2 P35354 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
SCHEMBL8210568 0.89 HPGD (0.39) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8173986 0.83 DAO (0.38) DAOLMNAALDH1A1L3MBTL1MAPT
SCHEMBL7848694 0.82 LMNA (0.41) DAOLMNAALDH1A1L3MBTL1MAPT
SCHEMBL7851082 0.82 DHODH (0.32)
SCHEMBL7852959 0.82 KDM4E (0.34) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7852090 0.81 GRIN1 (0.37) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL7853459 0.80 CYP1A2 (0.34) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6089258 0.80 KMT2A (0.41) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7854087 0.80 ACKR3 (0.36)
SCHEMBL7849258 0.80 GRIN1 (0.32) KMT2AMEN1TDP1

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
WO-2000061563-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-10-19 WO disclosed