SCHEMBL10085540

SCHEMBL10085540

O=S(=O)(CBr)c1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 7/20 0.46
HSD17B1 P14061 6/20 0.46
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 1/20 0.42
CA5A P35218 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
CA1 P00915 1/20 0.41
MMP2 P08253 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
ENPP2 Q13822 2/20 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
SCHEMBL2642996 0.82 PSIP1 (0.56) HSD17B2HSD17B1CA2CA12CA9
SCHEMBL29650282 0.82 PSIP1 (0.56) HSD17B2HSD17B1CA2CA12CA9
SCHEMBL9162922 0.78 CA2 (0.48) HSD17B2HSD17B1CA2CA12CA9
SCHEMBL7655342 0.77 HSD17B1 (0.44) HSD17B2HSD17B1CA2CA12CA9
SCHEMBL11331630 0.77 HSD17B1 (0.47) HSD17B2HSD17B1CA2CA12CA9
SCHEMBL10340796 0.76 CA2 (0.61) HSD17B2HSD17B1CA2CA12CA9
SCHEMBL69135 0.76 CA2 (0.61) HSD17B2HSD17B1CA2CA12CA9
SCHEMBL31146723 0.76 CA2 (0.61) HSD17B2HSD17B1CA2CA12CA9
SCHEMBL23521587 0.76 HSD17B1 (0.43) HSD17B2HSD17B1CA2CA12CA9
SCHEMBL19692865 0.76 ALDH1A1 (0.51) HSD17B2HSD17B1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2186637-B1 A lithographic printing plate AGFA GRAPHICS NV (BE) 2012-05-02 EP disclosed