SCHEMBL9490237

SCHEMBL9490237

ONC1Cc2ccc(OCc3ccccc3)cc2O1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.53
MAOB P27338 6/20 0.51
MAOA P21397 4/20 0.51
HIF1A Q16665 4/20 0.50
CA2 P00918 2/20 0.49
CA5A P35218 2/20 0.49
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
GRM5 P41594 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HRH3 Q9Y5N1 2/20 0.45
ALOX5 P09917 1/20 0.44

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
SCHEMBL7114984 0.87 MAOB (0.51) HTR6MAOBMAOAHIF1ACA2
SCHEMBL9220063 0.86 HIF1A (0.50) HTR6MAOBMAOAHIF1ACA2
SCHEMBL7113677 0.81 HTR6 (0.51) HTR6MAOBMAOAHIF1ACA2
SCHEMBL9217974 0.81 MAOB (0.40) HTR6MAOBHIF1AHPGDSMN1; SMN2
SCHEMBL8876623 0.81 MAOB (0.40) HTR6MAOBHIF1AHPGDSMN1; SMN2
SCHEMBL8875003 0.81 MAOB (0.40) HTR6MAOBHIF1AHPGDSMN1; SMN2
SCHEMBL7112237 0.81 HIF1A (0.54) HTR6MAOBMAOAHIF1ACA2
SCHEMBL7114979 0.79 HTR6 (0.53) HTR6MAOBMAOAHIF1ACA2
SCHEMBL7112868 0.77 HTR6 (0.71) HTR6MAOBMAOAHIF1ACA2
SCHEMBL7114259 0.77 HTR6 (0.59) HTR6MAOBMAOACA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO disclosed