SCHEMBL6200136

SCHEMBL6200136

Oc1ccnc(C(O)c2ccccc2)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.47
MAPT P10636 2/20 0.42
HPGD P15428 4/20 0.40
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTT P42858 4/20 0.39
GAA P10253 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TSHR P16473 3/20 0.38
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL6197331 0.91 MAPT (0.41) LMNAMAPTHPGDHTTGAA
SCHEMBL6197208 0.82 ACHE (0.49) LMNAMAPTHPGDHTTGAA
SCHEMBL16348040 0.80 LMNA (0.46) LMNAMAPTHPGDCYP1A2PTGS1
SCHEMBL6200254 0.75 LMNA (0.57) LMNAHPGDSLC6A2SLC6A3ALDH1A1
SCHEMBL4149747 0.74 LMNA (0.48) LMNAMAPTHPGDCYP1A2PTGS1
SCHEMBL10247056 0.73 LMNA (0.47) LMNAMAPTHPGDCYP1A2PTGS1
SCHEMBL6195615 0.72 AGTR2 (0.35) SLC6A3AGTR2
SCHEMBL27488692 0.70 HTR1A (0.61) LMNAMAPTHPGDCYP1A2PTGS1
SCHEMBL1637799 0.70 THRB (0.43) LMNAMAPTHPGDHTTGAA
SCHEMBL477506 0.68 LMNA (0.63) LMNAMAPTHPGDCYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768302-B1 Hydroxypyridinones NOVARTIS AG (CH) 2005-07-06 EP disclosed
US-5688815-A COMPOUNDS FOR REMOVAL OF EXCESS IRON IN MAMMALS CIBA GEIGY CORPORATION (US) 1997-11-18 US disclosed
CN-1151399-A Novel hydroxylpyridinones CIBA GEIGY AG (CH) 1997-06-11 CN disclosed
EP-0768302-A2 Hydroxypyridinones Novartis AG (CH) 1997-04-16 EP disclosed