SCHEMBL873465

SCHEMBL873465

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3OCc3ccccc3)cc2)cc1)[C@@H]1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
APP P05067 6/20 0.45
HSD17B10 Q99714 1/20 0.44
KDM1A O60341 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.41
PABPC1 P11940 1/20 0.41
PFKFB2 O60825 1/20 0.41
PFKFB1 P16118 1/20 0.41
PFKFB3 Q16875 1/20 0.41

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
SCHEMBL845005 0.92 KDM4E (0.54) KDM4ELMNAAPPHSD17B10KDM1A
SCHEMBL872930 0.90 GAA (0.52) KDM4ELMNATSHRL3MBTL1GAA
SCHEMBL873862 0.89 ALDH1A1 (0.45) KDM4ELMNANPSR1TSHRALDH1A1
SCHEMBL874313 0.88 MAPK1 (0.50) LMNATSHRALDH1A1GAA
SCHEMBL872535 0.88 KDM4E (0.46) KDM4ELMNAAPPHSD17B10KDM1A
SCHEMBL871691 0.86 ALDH1A1 (0.44) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL10119320 0.85 ALDH1A1 (0.43) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL874311 0.85 ALDH1A1 (0.47) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL874056 0.83 TRPV1 (0.42) NPSR1TSHRL3MBTL1ALDH1A1
SCHEMBL872044 0.83 ALDH1A1 (0.43) 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 1 patent. 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