SCHEMBL2842136

SCHEMBL2842136

O=S(=O)(NCC(O)c1ccncc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.52
▸ MMP2 P08253 8/20 0.51
▸ MMP13 P45452 3/20 0.51
▸ ADAMTS4 O75173 2/20 0.51
▸ MMP14 P50281 2/20 0.51
▸ ADAMTS5 Q9UNA0 2/20 0.51
▸ MEP1B Q16820 1/20 0.51
▸ CA2 P00918 6/20 0.50
▸ CA9 Q16790 6/20 0.50
▸ TARS1 P26639 1/20 0.47
▸ CA12 O43570 5/20 0.46
▸ CA1 P00915 5/20 0.46
▸ LMNA P02545 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PGR P06401 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MMP9 P14780 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
SCHEMBL2841159 0.87 ADRB2 (0.54) ALDH1A1
SCHEMBL2840998 0.85 PGR (0.60) MMP1MMP2MMP13ADAMTS4MMP14
SCHEMBL2841047 0.81 LMNA (0.54) MMP1MMP2MMP13ADAMTS4MMP14
SCHEMBL2844722 0.78 MMP2 (0.51) MMP1MMP2MMP13ADAMTS4MMP14
SCHEMBL2843014 0.78 MMP2 (0.51) MMP1MMP2MMP13ADAMTS4MMP14
SCHEMBL2844724 0.78 MMP2 (0.51) MMP1MMP2MMP13ADAMTS4MMP14
SCHEMBL13621547 0.77 GAA (0.51) MMP1MMP2MMP13CA2CA9
SCHEMBL2842887 0.77 TSHR (0.59) ALDH1A1
SCHEMBL2846313 0.76 ADRB3 (0.47) MMP1MMP2MMP13ADAMTS4MMP14
SCHEMBL3502829 0.74 ALDH1A1 (0.60) MMP2MMP13CA2CA9LMNA

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
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 — — WO disclosed
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