SCHEMBL9530948

SCHEMBL9530948

CCOc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc4oc(-c5ccccc5C(=O)O)c(Br)c4c3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
AGTR1 P30556 1/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
EDNRB P24530 1/20 0.38
KMT2A Q03164 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL9530986 0.85 AGTR1 (0.40) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL9531469 0.84 PPARG (0.49) AGTR1EDNRBPPARG
SCHEMBL9531841 0.76 PPARG (0.52) PPARG
SCHEMBL9690123 0.73 ALOX5AP (0.46) KDM4EALDH1A1EDNRBKMT2APPARG
SCHEMBL9530978 0.73 PPARG (0.51) AGTR1PPARG
SCHEMBL9309257 0.70 AGTR1 (0.51) AGTR1
SCHEMBL9309599 0.70 AGTR1 (0.51) AGTR1
SCHEMBL9309028 0.70 AGTR1 (0.54) AGTR1
SCHEMBL9532793 0.70 KDM4E (0.39) KDM4EEDNRB
SCHEMBL9536684 0.69 MAPK8 (0.55) PPARG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572455-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS Astra Pharmaceuticals Limited (GB) 1993-12-08 EP claimed
WO-1992014714-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS FISONS PLC (GB) 1992-09-03 WO claimed
EP-0572455-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS Astra Pharmaceuticals Limited (GB) 1993-12-08 EP disclosed
WO-1992014714-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS FISONS PLC (GB) 1992-09-03 WO disclosed
EP-0500297-A1 Substituted pyridinones and pyrimidinones as angiotensin II antagonists FISONS plc (GB) 1992-08-26 EP disclosed