SCHEMBL4772275

SCHEMBL4772275

COc1cccc([S+]([O-])N2CCCC(NC(=O)CCC(C)C)C(=O)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM2B Q8NHM5 3/20 0.35
APP P05067 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL7426883 0.78 PAX8 (0.43) MTNR1AMTNR1BALDH1A1
SCHEMBL7480516 0.69 CTSK (0.41) SMN1; SMN2MEN1KMT2A
SCHEMBL7431356 0.67 KMT2A (0.46) MEN1KMT2AALDH1A1
SCHEMBL7434831 0.66 KMT2A (0.48) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL7427486 0.66 MEN1 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7429042 0.66 HTR1A (0.38) SMN1; SMN2CYP2C19MEN1KMT2AL3MBTL1
SCHEMBL7432035 0.66 ALDH1A1 (0.48) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7477927 0.66 CTSK (0.50) SMN1; SMN2
SCHEMBL7427121 0.65 MEN1 (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7599077 0.64 HCRTR1 (0.40) RAB9AALDH1A1

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
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed