SCHEMBL844889

SCHEMBL844889

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)C3CC(=O)N(CCc4cccs4)C3)cc2)cc1)C1CC(=O)N(CCc2cccs2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP3 Q9NSD7 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 7/20 0.47
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 3/20 0.45
NPC1 O15118 2/20 0.45
GLA P06280 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL844852 0.90 L3MBTL1 (0.63) RXFP3SMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL18887500 0.88 RXFP3 (0.51) RXFP3SMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL5842543 0.88 SMN1; SMN2 (0.55) RXFP3SMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL845545 0.86 L3MBTL1 (0.45) RXFP3SMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL845812 0.82 L3MBTL1 (0.41) RXFP3SMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL5843753 0.81 RXFP3 (0.56) RXFP3SMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL871476 0.81 RXFP3 (0.53) RXFP3SMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL5842936 0.80 RXFP3 (0.53) RXFP3SMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL5843197 0.79 RXFP3 (0.52) RXFP3SMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL2176372 0.79 L3MBTL1 (0.76) SMN1; SMN2L3MBTL1ALDH1A1POLBHTT

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 3 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
EP-1893573-B1 INHIBITORS OF HCV REPLICATION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed