SCHEMBL6167749

SCHEMBL6167749

O=C(Nc1ccc(-c2cccs2)cc1)C(CS)Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
HPGDS O60760 1/20 0.50
MME P08473 5/20 0.49
ACE P12821 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
ECE1 P42892 1/20 0.49
BLM P54132 1/20 0.49
NPEPPS P55786 1/20 0.49
KMT2A Q03164 1/20 0.49
CPA3 P15088 1/20 0.47
FOLH1 Q04609 1/20 0.47

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
SCHEMBL6163612 0.83 MME (0.67) HPGDSMME
SCHEMBL6160768 0.83 MME (0.67) HPGDSMME
SCHEMBL6162689 0.83 MME (0.67) HPGDSMME
SCHEMBL6167455 0.82 HPGDS (0.47) PPARGPPARAHPGDSMEN1KMT2A
SCHEMBL6170983 0.82 MME (0.48) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7271417 0.82 MME (0.65) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9724811 0.79 MME (0.65) MMEACEALDH1A1HPGDMAPK1
SCHEMBL5097467 0.78 MME (0.57) MMEACEALDH1A1HPGDMAPK1
SCHEMBL390864 0.78 MME (0.57) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9724827 0.78 MEN1 (0.59) MMEACEALDH1A1HPGDMAPK1

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-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 EP claimed