SCHEMBL873781

SCHEMBL873781

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ncccc3OCc3ccccc3)cc2)cc1)[C@@H]1CCCN1OCc1ncccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.42
KDM1A O60341 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
APP P05067 5/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.39
PABPC1 P11940 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL845060 0.92 KDM4E (0.51) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL10119341 0.82 LMNA (0.38) KDM4ELMNAHSD17B10APPNPSR1
SCHEMBL845005 0.81 KDM4E (0.54) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL845330 0.80 GAA (0.47) KDM4ELMNATSHRL3MBTL1ALDH1A1
SCHEMBL13272511 0.80 KDM4E (0.43) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL845841 0.76 TRPV1 (0.45) KDM4ELMNAALDH1A1PABPC1CYP2C9
SCHEMBL13272509 0.76 TRPV1 (0.45) KDM4ELMNAALDH1A1PABPC1CYP2C9
SCHEMBL845442 0.76 CYP2C9 (0.43) ALDH1A1PABPC1CYP2C9CYP2C19
SCHEMBL845353 0.76 KDM4E (0.52) KDM4ELMNAHSD17B10KDM1ARCOR1
SCHEMBL845697 0.75 ALDH1A1 (0.45) NPSR1TSHRALDH1A1PABPC1CYP2C9

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