SCHEMBL845806

SCHEMBL845806

C=C1CC(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)C4CC(=O)N(Cc5cccs5)C4)cc3)cc2)CN1Cc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
RXFP3 Q9NSD7 1/20 0.45
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 2/20 0.38
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL845527 0.95 L3MBTL1 (0.51) L3MBTL1RXFP3MAPK1ALDH1A1SMN1; SMN2
SCHEMBL845812 0.91 L3MBTL1 (0.41) L3MBTL1RXFP3MAPK1ALDH1A1SMN1; SMN2
SCHEMBL845545 0.87 L3MBTL1 (0.45) L3MBTL1RXFP3MAPK1ALDH1A1SMN1; SMN2
SCHEMBL13272274 0.87 L3MBTL1 (0.43) L3MBTL1RXFP3MAPK1ALDH1A1SMN1; SMN2
SCHEMBL844852 0.81 L3MBTL1 (0.63) L3MBTL1RXFP3MAPK1ALDH1A1SMN1; SMN2
SCHEMBL871476 0.75 RXFP3 (0.53) L3MBTL1RXFP3MAPK1ALDH1A1SMN1; SMN2
SCHEMBL845235 0.73 MAPK1 (0.52) L3MBTL1MAPK1ALDH1A1SMN1; SMN2HTT
SCHEMBL13272192 0.73 MAPK1 (0.52) L3MBTL1MAPK1ALDH1A1SMN1; SMN2HTT
SCHEMBL844889 0.73 RXFP3 (0.51) L3MBTL1RXFP3ALDH1A1SMN1; SMN2HTT
SCHEMBL844884 0.72 HTT (0.48) MAPK1ALDH1A1HTTNPC1LMNA

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