SCHEMBL8212797

SCHEMBL8212797

OB(O)c1ccsc1.OB(O)c1occ2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.31
▸ NQO2 P16083 1/20 0.31
▸ HSD11B1 P28845 1/20 0.30
▸ CYP2E1 P05181 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30
▸ CYP2B6 P20813 1/20 0.30

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
SCHEMBL147974 0.82 CA4 (0.37) CA4CA6CA5ACA7ENPP2
Magnesium Chloride Anhydrous SCHEMBL20694938 0.76 CA4 (0.32) CA4CA6CA5ACA7ENPP2
Dibenzofuran SCHEMBL28911883 0.73 MAPT (0.38) CA4CA6CA5ACA7ENPP2
SCHEMBL42265 0.73 — —
SCHEMBL8212792 0.68 TDP1 (0.68) CA4CA6CA5ACA7CA14
Magnesium Chloride Anhydrous SCHEMBL20694979 0.66 ENPP2 (0.36) CA4CA6CA5ACA7ENPP2
SCHEMBL19215561 0.60 — —
SCHEMBL6253244 0.59 MGLL (0.60) ENPP2CYP2E1CYP2A6CYP2B6
SCHEMBL6013736 0.58 HSD17B10 (0.33) CA4CA6CA5ACA7ENPP2
Naphthalene SCHEMBL28450100 0.58 ENPP2 (0.82) CA4CA6CA5ACA7ENPP2

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
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