SCHEMBL6415591

SCHEMBL6415591

O=C(O)c1ccc2c(c1)C(=O)OC21c2cc(Cl)c(O)c(Cl)c2Oc2c1cc(Cl)c(OC(=O)c1cc3c(c(Cl)c1O)Oc1c(cc(C(=O)O)c(O)c1Cl)C31OC(=O)c3ccc(C(=O)O)cc31)c2Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
USP2 O75604 2/20 0.34
RECQL P46063 2/20 0.34
BLM P54132 2/20 0.34
ACE2 Q9BYF1 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
PRMT1 Q99873 2/20 0.34
GNG2 P59768 1/20 0.34
GNB1 P62873 1/20 0.34
THRB P10828 1/20 0.34
CDK2 P24941 1/20 0.34
CHAT P28329 1/20 0.34
BLVRB P30043 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
TTR P02766 1/20 0.31
MAPT P10636 2/20 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
SCHEMBL1738599 0.87 MEN1 (0.33) MEN1KMT2AUSP2RECQLBLM
SCHEMBL6415903 0.85 SMAD3 (0.35) MEN1KMT2AUSP2RECQLBLM
SCHEMBL7589676 0.85 SMAD3 (0.37) MEN1KMT2AUSP2RECQLBLM
SCHEMBL202968 0.84 GNG2 (0.43) MEN1KMT2AUSP2RECQLBLM
SCHEMBL202849 0.84 RECQL (0.42) MEN1KMT2AUSP2RECQLBLM
SCHEMBL3358989 0.83 MEN1 (0.33) MEN1KMT2AUSP2RECQLBLM
SCHEMBL203192 0.83 GNG2 (0.43) MEN1KMT2AUSP2RECQLBLM
SCHEMBL6823049 0.83 RECQL (0.43) MEN1KMT2AUSP2RECQLBLM
SCHEMBL6037101 0.75 SMAD3 (0.32) GNG2GNB1SMAD3
SCHEMBL3390818 0.74 TDP1 (0.41) MEN1KMT2AUSP2RECQLBLM

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-20050220675-A1 High density plate filler APPLIED BIOSYSTEMS, LLC 2005-10-06 US disclosed