SCHEMBL9690123

SCHEMBL9690123

CCOc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4C#N)cc3)c2c1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.46
PPARG P37231 4/20 0.44
KDM4E B2RXH2 3/20 0.42
RCE1 Q9Y256 1/20 0.42
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 1/20 0.41
EDNRB P24530 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 1/20 0.40
PTPN1 P18031 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL9690284 0.91 MAPK8 (0.46) ALOX5APPPARGMEN1KMT2A
SCHEMBL9531469 0.86 PPARG (0.49) PPARGEDNRB
SCHEMBL9690851 0.85 PPARG (0.44) ALOX5APPPARGKDM4ERCE1CNR1
SCHEMBL9532793 0.81 KDM4E (0.39) KDM4ERCE1EDNRBCNR1
SCHEMBL9531997 0.77 PPARG (0.45) PPARGCNR1
SCHEMBL9531841 0.76 PPARG (0.52) PPARG
SCHEMBL9536684 0.75 MAPK8 (0.55) PPARG
SCHEMBL1890010 0.75 PPARG (0.48) ALOX5APPPARGFFAR1AKR1B1CNR1
SCHEMBL9530978 0.73 PPARG (0.51) PPARG
SCHEMBL9530948 0.73 KDM4E (0.43) PPARGKDM4EEDNRBALDH1A1KMT2A

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-0500297-A1 Substituted pyridinones and pyrimidinones as angiotensin II antagonists FISONS plc (GB) 1992-08-26 EP disclosed