SCHEMBL845049

SCHEMBL845049

Cc1nc2ccccn2c1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3c(C)nc4ccccn34)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
GLA P06280 1/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.43

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
SCHEMBL13272514 0.88 LMNA (0.40) LMNAGLANPC1RAB9ASMN1; SMN2
SCHEMBL845735 0.83 POLB (0.45) MAPTPOLBKMT2AALDH1A1
SCHEMBL845367 0.79 ALDH1A1 (0.47) MAPTHTTPOLBTDP1KMT2A
SCHEMBL845008 0.78 ALDH1A1 (0.54) LMNAMAPTHTTPOLBTDP1
SCHEMBL845300 0.77 CYP2C9 (0.54) MAPTHTTALDH1A1
SCHEMBL844980 0.76 ALDH1A1 (0.45) MAPTHTTPOLBKMT2AALDH1A1
SCHEMBL845421 0.76 ALDH1A1 (0.42) NPC1MAPTHTTPOLBKMT2A
SCHEMBL845422 0.76 KMT2A (0.46) LMNANPC1MAPTHTTPOLB
SCHEMBL845013 0.75 CYP2C9 (0.46) LMNAMAPTHTTALDH1A1
SCHEMBL845338 0.75 RHOC (0.48) NPC1POLBKMT2AALDH1A1

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 2 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