SCHEMBL4728393

SCHEMBL4728393

CCn1c2ccccc2c2cc(NC(=O)CCC(=O)O)ccc21

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.83
MAPT P10636 7/20 0.83
LMNA P02545 3/20 0.83
MEN1 O00255 2/20 0.83
KMT2A Q03164 2/20 0.83
SMN1; SMN2 Q16637 2/20 0.83
RORC P51449 4/20 0.75
ALDH1A1 P00352 1/20 0.71
NPSR1 Q6W5P4 1/20 0.70
NPY5R Q15761 7/20 0.70
HPGD P15428 2/20 0.69
USP2 O75604 1/20 0.66

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
SCHEMBL4728399 1.00 KDM4E (0.83) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL4727374 0.89 KDM4E (0.78) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL4725254 0.89 MAPT (0.85) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL4728967 0.88 KDM4E (0.64) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL1593514 0.88 KDM4E (0.83) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL4728971 0.88 KDM4E (0.64) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL14199692 0.87 MAPT (0.82) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL15899270 0.86 RORC (1.00) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL1594133 0.85 KDM4E (0.80) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL15899235 0.85 KDM4E (0.80) KDM4EMAPTLMNAMEN1KMT2A

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