SCHEMBL8212792

SCHEMBL8212792

OB(O)c1cc2ccccc2o1.OB(O)c1ccsc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.68
KDM4E B2RXH2 2/20 0.68
MGLL Q99685 1/20 0.68
HSD17B10 Q99714 1/20 0.68
MAOB P27338 4/20 0.43
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
FLT3 P36888 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 1/20 0.35
HPGD P15428 2/20 0.35
TYR P14679 1/20 0.35
DAO P14920 1/20 0.35
AKR1B1 P15121 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL147973 0.82 KDM4E (1.00) TDP1KDM4EMGLLHSD17B10MAOB
Naphthalene SCHEMBL29205373 0.81 KDM4E (0.96) TDP1KDM4EMGLLHSD17B10MAOB
Dibenzofuran SCHEMBL28911883 0.76 MAPT (0.38) TDP1KDM4EMGLLHSD17B10MAOB
SCHEMBL22684755 0.73 KDM4E (0.79) TDP1KDM4EMGLLHSD17B10MAOB
SCHEMBL42265 0.73
SCHEMBL16633354 0.71 KDM4E (0.77) TDP1KDM4EMGLLHSD17B10MAOB
SCHEMBL10343480 0.69 KDM4E (0.71) TDP1KDM4EMGLLHSD17B10MAOB
SCHEMBL28212688 0.69 MGLL (0.71) TDP1KDM4EMGLLHSD17B10MAOB
SCHEMBL8212797 0.68 CA4 (0.33) CA1CA2CYP2A6CA4CA6
SCHEMBL8166913 0.67 KDM4E (0.56) TDP1KDM4EMGLLHSD17B10MAOB

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-1007515-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS Abbott Laboratories (US) 2000-06-14 EP disclosed
WO-1999010331-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-03-04 WO disclosed