SCHEMBL6964870

SCHEMBL6964870

Cc1ccccc1NCc1ccc2cc(CC3SC(=O)NC3=O)cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPARG P37231 12/20 0.43
FFAR1 O14842 4/20 0.43
MAOA P21397 2/20 0.42
CISD1 Q9NZ45 2/20 0.42
MAOB P27338 1/20 0.42
SCD O00767 1/20 0.41
MPC2 O95563 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
PPARA Q07869 1/20 0.40
CYP3A4 P08684 1/20 0.39
RXRA P19793 1/20 0.39

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
SCHEMBL6963704 0.80 PPARG (0.49) ALDH1A1NPSR1PPARGFFAR1MAOA
SCHEMBL6958325 0.78 ADRA2C (0.46) ALDH1A1SCD
SCHEMBL29764689 0.78 PPARG (0.50) ALDH1A1NPSR1PPARGFFAR1MAOA
SCHEMBL23578851 0.78 PPARG (0.50) ALDH1A1NPSR1PPARGFFAR1MAOA
SCHEMBL6964865 0.78 PPARG (0.49) ALDH1A1NPSR1PPARGFFAR1MAOA
SCHEMBL6964875 0.77 FFAR1 (0.61) PPARGFFAR1PPARACYP3A4RXRA
SCHEMBL6954013 0.76 MAOA (0.48) ALDH1A1NPSR1PPARGFFAR1MAOA
SCHEMBL6963261 0.75 PPARG (0.59) ALDH1A1NPSR1PPARGFFAR1MPC2
SCHEMBL6964931 0.74 PPARG (0.56) ALDH1A1PPARGFFAR1MAOACISD1
SCHEMBL8824957 0.74 SCD (0.39) ALDH1A1NPSR1SCD

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