SCHEMBL13381741

SCHEMBL13381741

CN1CCC(C(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(O)c(O)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.42
▸ MMP13 P45452 4/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ ADAMTS4 O75173 2/20 0.40
▸ MMP14 P50281 2/20 0.40
▸ ADAMTS5 Q9UNA0 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MEP1B Q16820 1/20 0.40
▸ OGG1 O15527 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL2844651 0.85 MEN1 (0.41) MMP2MMP13MEN1LMNAHTT
SCHEMBL13381695 0.83 L3MBTL1 (0.50) L3MBTL1
SCHEMBL13381546 0.80 L3MBTL1 (0.47) MEN1LMNAHTTKMT2AMAPT
SCHEMBL13381969 0.78 L3MBTL1 (0.48) MMP2MMP13LMNACA2CA9
SCHEMBL13381525 0.77 ADAM33 (0.47) LMNAMAPTL3MBTL1
SCHEMBL13381499 0.76 ALDH1A1 (0.45) L3MBTL1
SCHEMBL13381614 0.75 MAPT (0.49) MAPTL3MBTL1
SCHEMBL13381621 0.75 TSHR (0.58) LMNAMAPT
SCHEMBL13381505 0.74 TSHR (0.60) LMNA
SCHEMBL13381622 0.74 GAA (0.52) MAPTL3MBTL1

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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