SCHEMBL5582486

SCHEMBL5582486

C[C@H]1Sc2ccc(Cl)cc2C(=O)C1=C[As](C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
S100A4 P26447 2/20 0.35
VHL P40337 1/20 0.34
ELOC Q15369 1/20 0.34
ELOB Q15370 1/20 0.34
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
TGM2 P21980 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL5582485 1.00 KDM4E (0.40) KDM4ELMNAHTTS100A4VHL
SCHEMBL5315082 0.81 KDM4E (0.40) KDM4ELMNAHTTS100A4VHL
SCHEMBL5315086 0.81 KDM4E (0.40) KDM4ELMNAHTTS100A4VHL
SCHEMBL68088 0.74 KDM4E (0.48) KDM4ELMNAHTTS100A4VHL
SCHEMBL15114816 0.68 KDM4E (0.43) KDM4ELMNAHTTS100A4VHL
SCHEMBL18885171 0.68 KDM4E (0.43) KDM4ELMNAHTTS100A4VHL
SCHEMBL29953606 0.68 KDM4E (0.43) KDM4ELMNAHTTS100A4VHL
SCHEMBL13379167 0.67 KDM4E (0.48) KDM4ELMNAHTTS100A4VHL
SCHEMBL17522054 0.66 KDM4E (0.47) KDM4ELMNAHTTS100A4VHL
SCHEMBL16471902 0.65 KDM4E (0.43) KDM4ELMNAHTTVHLELOC

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-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed