SCHEMBL2836199

SCHEMBL2836199

CN1CCN(C(CNS(=O)(=O)c2ccc(Oc3ccccc3)nc2)c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.52
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 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
SCHEMBL2837650 0.90 TP53 (0.57) TP53LMNAMAPTOPRM1OPRD1
SCHEMBL2841069 0.89 TP53 (0.49) TP53LMNAMAPT
SCHEMBL2847041 0.86 TP53 (0.55) TP53LMNAMAPTOPRM1OPRD1
SCHEMBL13381938 0.86 TSHR (0.47) —
SCHEMBL2841776 0.85 LMNA (0.52) TP53LMNA
SCHEMBL2846520 0.85 TSHR (0.57) TP53LMNA
SCHEMBL2842414 0.83 TP53 (0.54) TP53LMNAMAPT
SCHEMBL2841803 0.83 TP53 (0.59) TP53LMNA
SCHEMBL2846556 0.83 TP53 (0.53) TP53LMNAMAPT
SCHEMBL2836208 0.82 LMNA (0.53) TP53LMNAMAPT

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 2 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
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