SCHEMBL4725593

SCHEMBL4725593

CCn1c2ccccc2c2cc(CCCC(N)=O)ccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.74
LMNA P02545 4/20 0.74
MAPK1 P28482 2/20 0.74
POLB P06746 2/20 0.74
FDFT1 P37268 2/20 0.57
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 5/20 0.54
MEN1 O00255 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
HTT P42858 1/20 0.54
HBB P68871 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPY5R Q15761 5/20 0.52
PLA2G2A P14555 1/20 0.52

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
Succinamide SCHEMBL9208547 0.81 KDM4E (0.78) KDM4ELMNAMAPK1POLBALDH1A1
SCHEMBL5794326 0.80 KDM4E (0.63) KDM4ELMNAMAPK1POLBFDFT1
SCHEMBL6320906 0.80 MAPT (0.67) KDM4ELMNAMAPK1POLBFDFT1
SCHEMBL2600216 0.80 KDM4E (0.62) KDM4ELMNAMAPK1POLBFDFT1
SCHEMBL30150496 0.77 KDM4E (0.68) KDM4ELMNAMAPK1POLBALDH1A1
SCHEMBL7979578 0.77 KDM4E (0.68) KDM4ELMNAMAPK1POLBALDH1A1
SCHEMBL29733536 0.77 KDM4E (0.59) KDM4ELMNAMAPK1POLBFDFT1
SCHEMBL31694995 0.77 KDM4E (0.60) KDM4ELMNAMAPK1POLBFDFT1
SCHEMBL2852617 0.77 KDM4E (0.67) KDM4ELMNAMAPK1POLBALDH1A1
SCHEMBL4849333 0.77 KDM4E (0.67) KDM4ELMNAMAPK1POLBALDH1A1

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
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed