SCHEMBL2842887

SCHEMBL2842887

CN1CCN(C(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccncc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.53
▸ GAA P10253 2/20 0.51
▸ TP53 P04637 1/20 0.49
▸ GLA P06280 1/20 0.49

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
SCHEMBL2847484 0.93 L3MBTL1 (0.59) TSHRL3MBTL1ALDH1A1GAAGLA
SCHEMBL2846692 0.93 L3MBTL1 (0.62) TSHRL3MBTL1ALDH1A1GAAGLA
SCHEMBL2842908 0.89 TSHR (0.75) TSHRALDH1A1GAATP53
SCHEMBL2846591 0.89 L3MBTL1 (0.66) TSHRL3MBTL1ALDH1A1GAA
SCHEMBL2841062 0.89 L3MBTL1 (0.66) TSHRL3MBTL1ALDH1A1GAAGLA
SCHEMBL2842383 0.89 L3MBTL1 (0.56) TSHRL3MBTL1ALDH1A1GAAGLA
SCHEMBL2843771 0.88 ALDH1A1 (0.62) TSHRL3MBTL1ALDH1A1GAATP53
SCHEMBL2843212 0.88 TSHR (0.64) TSHRL3MBTL1GAATP53
SCHEMBL2843205 0.88 MAPT (0.55) TSHRL3MBTL1ALDH1A1GAATP53
SCHEMBL2841026 0.88 ALDH1A1 (0.62) TSHRL3MBTL1ALDH1A1GAATP53

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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