SCHEMBL6954013

SCHEMBL6954013

O=C1NC(=O)C(Cc2cnc3cc(O)ccc3c2)S1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
CISD1 Q9NZ45 2/20 0.48
MAOB P27338 1/20 0.48
MAPT P10636 1/20 0.47
FFAR1 O14842 5/20 0.44
PPARA Q07869 3/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPARG P37231 10/20 0.44
AKT1 P31749 1/20 0.44
PIK3CA P42336 1/20 0.44
CYP3A4 P08684 1/20 0.43
RXRA P19793 1/20 0.43
MPC2 O95563 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL29764689 0.85 PPARG (0.50) MAOACISD1MAOBMAPTFFAR1
SCHEMBL23578851 0.85 PPARG (0.50) MAOACISD1MAOBMAPTFFAR1
SCHEMBL6964931 0.83 PPARG (0.56) MAOACISD1MAPTFFAR1PPARA
SCHEMBL6963704 0.82 PPARG (0.49) MAOACISD1MAOBMAPTFFAR1
SCHEMBL29602962 0.82 FFAR1 (0.59) FFAR1PPARAPPARGCYP3A4
SCHEMBL377641 0.82 FFAR1 (0.59) FFAR1PPARAPPARGCYP3A4
SCHEMBL6964875 0.82 FFAR1 (0.61) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL7631727 0.81 MAPT (0.57) MAOACISD1MAOBMAPTFFAR1
SCHEMBL6958784 0.81 FFAR1 (0.58) FFAR1PPARAPPARGCYP3A4RXRA
SCHEMBL6963885 0.81 FFAR1 (0.53) MAOBFFAR1PPARAPPARGAKT1

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-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
US-5693651-A HYPOGLYCEMIC AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1997-12-02 US disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed