SCHEMBL13381695

SCHEMBL13381695

CN1CCN(C(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(O)c(O)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.46

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
SCHEMBL13381499 0.93 ALDH1A1 (0.45) L3MBTL1TSHRALDH1A1GAA
SCHEMBL13381614 0.91 MAPT (0.49) L3MBTL1TSHRALDH1A1GAA
SCHEMBL13381621 0.91 TSHR (0.58) TSHRALDH1A1
SCHEMBL13381969 0.91 L3MBTL1 (0.48) L3MBTL1ALDH1A1GAA
SCHEMBL13381505 0.90 TSHR (0.60) TSHRALDH1A1
SCHEMBL13381525 0.90 ADAM33 (0.47) L3MBTL1ALDH1A1GAA
SCHEMBL13381622 0.90 GAA (0.52) L3MBTL1TSHRALDH1A1GAA
SCHEMBL13381708 0.90 ALDH1A1 (0.49) L3MBTL1TSHRALDH1A1GAA
SCHEMBL2847484 0.90 L3MBTL1 (0.59) L3MBTL1TSHRALDH1A1GAA
SCHEMBL13381698 0.89 KMT2A (0.49) L3MBTL1TSHRALDH1A1GAA

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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