SCHEMBL9530577

SCHEMBL9530577

COC(=O)c1ccccc1-c1ccc(CNc2cccc(OC)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.57
SLC6A3 Q01959 4/20 0.53
SLC6A4 P31645 3/20 0.53
SLC6A2 P23975 1/20 0.51
BDKRB1 P46663 5/20 0.50
HIF1A Q16665 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
HDAC4 P56524 1/20 0.47
MEF2D Q14814 1/20 0.47

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
SCHEMBL3126366 0.86 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2BDKRB1HIF1A
SCHEMBL20183881 0.83 CA1 (0.57) HIF1AHDAC1HDAC8HDAC6PPARG
SCHEMBL29879594 0.81 CA1 (0.61) HIF1AHDAC1PPARGPPARDPPARA
SCHEMBL15761747 0.81 CA1 (0.61) HIF1AHDAC1PPARGPPARDPPARA
SCHEMBL10055018 0.79 NOS1 (0.63) KDM4EGAAHIF1AHDAC1HDAC8
SCHEMBL10055048 0.78 NOS1 (0.56) KDM4EGAAHIF1AHDAC1HDAC8
SCHEMBL30285198 0.78 SLC6A3 (0.66) KDM4EGAASLC6A3SLC6A4SLC6A2
SCHEMBL9534641 0.78 HDAC1 (0.48) KDM4EGAAHIF1ACYP1A2CYP2D6
SCHEMBL6276231 0.77 SLC6A3 (0.71) KDM4EGAASLC6A3SLC6A4SLC6A2
SCHEMBL14689659 0.77 MAPT (0.64) KDM4EGAAHIF1AHDAC1HDAC8

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-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