SCHEMBL18901976

SCHEMBL18901976

CC(=O)C1CC(=O)N(CCc2cccs2)C1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 4/20 0.47
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
RXFP3 Q9NSD7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2C19 P33261 1/20 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
SCHEMBL14648049 0.90 L3MBTL1 (0.76) L3MBTL1SMN1; SMN2POLBHTTGAA
SCHEMBL2176372 0.90 L3MBTL1 (0.76) L3MBTL1SMN1; SMN2POLBHTTGAA
SCHEMBL13379352 0.88 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2POLBHTTGAA
SCHEMBL13379349 0.88 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2POLBGAATP53
SCHEMBL14662009 0.80 SMN1; SMN2 (0.65) L3MBTL1SMN1; SMN2POLBHTTTP53
SCHEMBL18887500 0.79 RXFP3 (0.51) L3MBTL1SMN1; SMN2POLBHTTGAA
SCHEMBL844889 0.79 RXFP3 (0.51) L3MBTL1SMN1; SMN2POLBHTTGAA
SCHEMBL5842543 0.79 SMN1; SMN2 (0.55) L3MBTL1SMN1; SMN2POLBHTTGAA
SCHEMBL6613615 0.79 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2POLBGAATP53
SCHEMBL2449353 0.76 L3MBTL1 (1.00) L3MBTL1SMN1; SMN2POLBHTTGAA

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
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed