SCHEMBL29953606

SCHEMBL29953606

CC1Sc2ccc(Cl)cc2C(Cl)=C1C=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
VHL P40337 1/20 0.34
ELOC Q15369 1/20 0.34
ELOB Q15370 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.32
ERN1 O75460 2/20 0.32
S100A4 P26447 1/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 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
SCHEMBL15114816 1.00 KDM4E (0.43) KDM4ELMNAHTTNPC1NPSR1
SCHEMBL18885171 1.00 KDM4E (0.43) KDM4ELMNAHTTNPC1NPSR1
SCHEMBL16471902 0.88 KDM4E (0.43) KDM4ELMNAHTTNPC1NPSR1
SCHEMBL17522054 0.77 KDM4E (0.47) KDM4ELMNAHTTNPC1NPSR1
SCHEMBL68088 0.75 KDM4E (0.48) KDM4ELMNAHTTNPC1NPSR1
SCHEMBL20621433 0.73 KDM4E (0.44) KDM4ELMNAHTTNPC1NPSR1
SCHEMBL18878404 0.73 KDM4E (0.44) KDM4ELMNAHTTNPC1NPSR1
SCHEMBL13379167 0.71 KDM4E (0.48) KDM4ELMNAHTTNPC1NPSR1
SCHEMBL5315082 0.68 KDM4E (0.40) KDM4ELMNAHTTNPC1NPSR1
SCHEMBL5582485 0.68 KDM4E (0.40) KDM4ELMNAHTTNPC1NPSR1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed