SCHEMBL6304255

SCHEMBL6304255

CC(C)CCS(=O)(=O)c1cnc2cc(Cl)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 2/20 0.39
HRH4 Q9H3N8 2/20 0.39
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.34
TP53 P04637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
HIF1A Q16665 1/20 0.34
GMNN O75496 1/20 0.34
APEX1 P27695 1/20 0.34
PMP22 Q01453 1/20 0.34
IDH1 O75874 1/20 0.34
ALOX12 P18054 1/20 0.33

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
SCHEMBL11272645 0.86 HTT (0.43) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL11277793 0.85 HRH4 (0.44) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL11302866 0.83 HRH4 (0.47) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL11270011 0.83 HRH4 (0.42) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL11499576 0.82 HTT (0.43) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL11498963 0.82 HTT (0.41) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL11498697 0.80 HRH4 (0.40) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL11271385 0.79 HTT (0.46) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL11297804 0.78 LMNA (0.53) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL11273237 0.77 HTT (0.49) HTTSMN1; SMN2ALDH1A1LMNAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927214-B1 Non-peptide GLP-1 agonists NOVO NORDISK A/S (DK) 2005-08-09 US claimed
US-6927214-B1 Non-peptide GLP-1 agonists NOVO NORDISK A/S (DK) 2005-08-09 US disclosed
EP-1147094-A1 NON-PEPTIDE GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2001-10-24 EP disclosed
WO-2000042026-A1 NON-PEPTIDE GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2000-07-20 WO disclosed