SCHEMBL2841776

SCHEMBL2841776

CN1CCN(C(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ TP53 P04637 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TSHR P16473 1/20 0.47

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
SCHEMBL2837650 0.94 TP53 (0.57) LMNATP53
SCHEMBL2843070 0.91 L3MBTL1 (0.47) LMNAALDH1A1SMN1; SMN2GAAHTT
SCHEMBL2847041 0.88 TP53 (0.55) LMNATP53
SCHEMBL2847484 0.87 L3MBTL1 (0.59) ALDH1A1GAAL3MBTL1TSHR
SCHEMBL13381640 0.87 TSHR (0.47) ALDH1A1L3MBTL1TSHR
SCHEMBL2838161 0.86 MAPT (0.61) LMNATP53TSHR
SCHEMBL2836208 0.86 LMNA (0.53) LMNATP53
SCHEMBL2840994 0.86 TP53 (0.58) LMNAALDH1A1TP53
SCHEMBL2840117 0.86 TP53 (0.48) LMNAALDH1A1TP53L3MBTL1
SCHEMBL2843660 0.86 L3MBTL1 (0.52) ALDH1A1GAAL3MBTL1TSHR

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

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