SCHEMBL6087598

SCHEMBL6087598

COc1cc(Cn2c(C(=O)c3cc(C)cc(C)c3)c(C(C)C)c(=O)[nH]c2=O)cc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTT P42858 3/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.35
TP53 P04637 3/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 1/20 0.35
NCOA1 Q15788 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 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
SCHEMBL6086426 0.91 MTNR1A (0.47) KMT2AALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL6088109 0.90 KMT2A (0.37) MEN1KMT2ATDP1HTTALDH1A1
SCHEMBL6086806 0.85 KMT2A (0.34) MEN1KMT2ATDP1HTTALDH1A1
SCHEMBL6086765 0.85 MEN1 (0.38) MEN1KMT2ATDP1HTTALDH1A1
SCHEMBL6085657 0.85 GRIN1 (0.36) MEN1KMT2ATDP1
SCHEMBL6085624 0.85 TYMS (0.36) MEN1KMT2ATDP1MAPTLMNA
SCHEMBL6089258 0.85 KMT2A (0.41) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL7848710 0.83 MTNR1A (0.37) MEN1KMT2ATDP1HTTALDH1A1
SCHEMBL501413 0.83 KMT2A (0.35) MEN1KMT2ATDP1HTTALDH1A1
SCHEMBL10204285 0.83 TRPA1 (0.36) MEN1KMT2ATDP1

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