SCHEMBL6964865

SCHEMBL6964865

CN(Cc1ccc2cc(CC3SC(=O)NC3=O)cnc2c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.49
RXRA P19793 2/20 0.44
RARG P13631 1/20 0.44
FFAR1 O14842 5/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.41
PPARA Q07869 2/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.41
CISD1 Q9NZ45 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
SCHEMBL6963261 0.89 PPARG (0.59) PPARGRXRARARGFFAR1ALDH1A1
SCHEMBL6963704 0.84 PPARG (0.49) PPARGRXRAFFAR1ALDH1A1NPSR1
SCHEMBL6964875 0.82 FFAR1 (0.61) PPARGRXRAFFAR1CYP3A4PPARA
SCHEMBL23578851 0.80 PPARG (0.50) PPARGRXRAFFAR1ALDH1A1NPSR1
SCHEMBL29764689 0.80 PPARG (0.50) PPARGRXRAFFAR1ALDH1A1NPSR1
SCHEMBL6954013 0.78 MAOA (0.48) PPARGRXRAFFAR1ALDH1A1NPSR1
SCHEMBL6964870 0.78 ALDH1A1 (0.44) PPARGRXRAFFAR1ALDH1A1NPSR1
SCHEMBL29602962 0.78 FFAR1 (0.59) PPARGFFAR1CYP3A4PPARA
SCHEMBL377641 0.78 FFAR1 (0.59) PPARGFFAR1CYP3A4PPARA
SCHEMBL6958784 0.77 FFAR1 (0.58) PPARGRXRAFFAR1CYP3A4PPARA

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
EP-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed