SCHEMBL845504

SCHEMBL845504

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)cc2)cc1)C1CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
LMNA P02545 1/20 0.68
HSD17B10 Q99714 1/20 0.67
KDM1A O60341 1/20 0.66
RCOR1 Q9UKL0 1/20 0.66
NPSR1 Q6W5P4 1/20 0.64
TSHR P16473 3/20 0.64
ALDH1A1 P00352 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.58
GFER P55789 1/20 0.57
KMT2A Q03164 2/20 0.55
TP53 P04637 1/20 0.55
MEN1 O00255 1/20 0.55
CTRB1 P17538 1/20 0.55
ENPP2 Q13822 1/20 0.52
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
PABPC1 P11940 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL844832 0.96 KDM4E (0.73) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL845252 0.96 KDM4E (0.73) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL844883 0.93 KDM4E (0.69) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL845923 0.90 KDM4E (0.56) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL13272430 0.90 KDM4E (0.61) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL13272434 0.89 KDM4E (0.64) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL7265734 0.88 KDM4E (0.78) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL7265745 0.88 KDM4E (0.78) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL13388185 0.87 KDM4E (0.77) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL13272441 0.86 KDM4E (0.61) KDM4ELMNAHSD17B10KDM1ARCOR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
EP-1893573-B1 INHIBITORS OF HCV REPLICATION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed