SCHEMBL6086426

SCHEMBL6086426

COc1cccc(Cn2c(C(=O)c3cc(C)cc(C)c3)c(C(C)C)c(=O)[nH]c2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
MIF P14174 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DAO P14920 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CMA1 P23946 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
CD74 P04233 1/20 0.40
MTOR P42345 1/20 0.40
IDH1 O75874 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
YWHAH Q04917 1/20 0.39

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
SCHEMBL6087598 0.91 MEN1 (0.37) MTNR1AMTNR1BKDM4EALDH1A1TP53
SCHEMBL6089258 0.87 KMT2A (0.41) KDM4EALDH1A1MAPTKMT2A
SCHEMBL6086464 0.86 DAO (0.44) KDM4EALDH1A1DAOKMT2A
SCHEMBL6089236 0.86 MTNR1A (0.48) MTNR1AMTNR1BMIFDAOTP53
SCHEMBL6088109 0.85 KMT2A (0.37) KDM4EALDH1A1MAPTKMT2A
SCHEMBL10204285 0.85 TRPA1 (0.36) KMT2A
SCHEMBL7847168 0.84 MTNR1A (0.49) MTNR1AMTNR1BMIFKDM4EALDH1A1
SCHEMBL6085834 0.83 IDH1 (0.41) GRIN1GRIN2BIDH1PIK3R1PIK3CA
SCHEMBL6634103 0.83 KMT2A (0.38) KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL6086784 0.82 ALDH1A1 (0.36) ALDH1A1MAPTSMN1; SMN2

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