SCHEMBL10119341

SCHEMBL10119341

CCC/C=C/c1cccnc1CON1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ncccc3/C=C/CCC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PABPC1 P11940 1/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APP P05067 2/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
CFD P00746 1/20 0.33

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
SCHEMBL845433 0.90 PABPC1 (0.42) LMNAKDM4EPABPC1GAAMAPT
SCHEMBL872415 0.84 PABPC1 (0.38) LMNAKDM4EPABPC1GAACYP2C9
SCHEMBL873781 0.82 KDM4E (0.44) LMNAKDM4EPABPC1GAACYP2C9
SCHEMBL845330 0.78 GAA (0.47) LMNAKDM4EPABPC1GAACYP2C9
SCHEMBL845060 0.76 KDM4E (0.51) LMNAKDM4EPABPC1GAACYP2C9
SCHEMBL845697 0.75 ALDH1A1 (0.45) PABPC1MAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL845442 0.74 CYP2C9 (0.43) PABPC1MAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL873858 0.74 GAA (0.42) LMNAKDM4EPABPC1GAAMAPT
SCHEMBL871971 0.74 PDE5A (0.42) LMNAKDM4EPABPC1GAACYP2C9
SCHEMBL845301 0.73 PABPC1 (0.51) LMNAKDM4EPABPC1GAACYP2C9

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