SCHEMBL8764209

SCHEMBL8764209

OB(O)c1ccc(N=C=S)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 2/20 0.50
▸ MIF P14174 1/20 0.50
▸ CA2 P00918 6/20 0.44
▸ CA1 P00915 5/20 0.44
▸ ENPP2 Q13822 5/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ LPL P06858 1/20 0.41
▸ LIPG Q9Y5X9 1/20 0.41
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ MGLL Q99685 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
Bitoscanate SCHEMBL157128 0.80 MIF (0.72) P2RY6MIFCA2CA1HSD17B10
SCHEMBL55943 0.77 TSHR (0.50) CA2CA1ENPP2TSHRLPL
SCHEMBL5049590 0.75 MIF (0.48) P2RY6MIFENPP2MGLLKDM4E
SCHEMBL8763679 0.74 P2RY6 (0.47) P2RY6MIFCA2CA1HSD17B10
SCHEMBL457107 0.73 MIF (0.56) P2RY6MIFCA2CA1HSD17B10
SCHEMBL22361790 0.72 CA2 (0.48) CA2CA1ENPP2TSHRLPL
SCHEMBL22361789 0.72 CA2 (0.48) CA2CA1ENPP2TSHRLPL
SCHEMBL1548531 0.72 MIF (0.62) P2RY6MIFCA2CA1HSD17B10
SCHEMBL6764104 0.71 MIF (0.54) P2RY6MIFCA2CA1HSD17B10
Bitoscanate SCHEMBL8443297 0.71 CA1 (0.63) P2RY6MIFCA2CA1HSD17B10

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-0452858-B1 Metal complexes of acid adducts to dioxime ligands useful in labelling proteins and other amine-containing compounds BRACCO INT BV (NL) 1997-07-16 — — EP claimed
EP-0452858-A2 Metal complexes of acid adducts to dioxime ligands useful in labelling proteins and other amine-containing compounds BRACCO INTERNATIONAL B.V. (NL) 1991-10-23 — — EP claimed
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