SCHEMBL4730428

SCHEMBL4730428

COC(=O)c1sccc1NC1CCOC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPK10 P53779 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
RXFP1 Q9HBX9 2/20 0.45
PRNP P04156 1/20 0.45

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
SCHEMBL4778018 0.92 SMN1; SMN2 (0.54) SMN1; SMN2HTTNPC1MEN1KMT2A
SCHEMBL2434458 0.82 SMN1; SMN2 (0.65) SMN1; SMN2HTTNPC1MEN1KMT2A
SCHEMBL101584 0.79 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1MEN1KMT2A
SCHEMBL1961677 0.77 SMN1; SMN2 (0.53) SMN1; SMN2HTTNPC1MEN1KMT2A
SCHEMBL4776364 0.77 HPGDS (0.36) SMN1; SMN2HTTKMT2AHPGDKDM4E
SCHEMBL4725298 0.75 MEN1 (0.52) SMN1; SMN2HTTNPC1MEN1KMT2A
SCHEMBL15118765 0.75 SMN1; SMN2 (0.46) SMN1; SMN2HTTNPC1MEN1KMT2A
SCHEMBL23287054 0.72 HDAC1 (0.45) SMN1; SMN2NPC1ALDH1A1MAPTGAA
SCHEMBL23286901 0.72 HDAC1 (0.45) SMN1; SMN2NPC1ALDH1A1MAPTGAA
SCHEMBL23286899 0.72 HDAC1 (0.45) SMN1; SMN2NPC1ALDH1A1MAPTGAA

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
WO-2008043791-A2 THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C SMITHKLINE BEECHAM CORPORATION (US) 2008-04-17 WO disclosed
WO-2008043791-A2 THIOPHENE DERIVATIVES FOR TREATING HEPATITIS C SMITHKLINE BEECHAM CORPORATION (US) 2008-04-17 WO disclosed