SCHEMBL2843768

SCHEMBL2843768

CN1CCN([C@H](CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.62
▸ GLA P06280 1/20 0.62
▸ GAA P10253 3/20 0.61
▸ MAPT P10636 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ TP53 P04637 1/20 0.54
▸ TSHR P16473 1/20 0.52
▸ PGR P06401 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ POLB P06746 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
SCHEMBL2841026 1.00 ALDH1A1 (0.62) ALDH1A1GLAGAAMAPTL3MBTL1
SCHEMBL2843771 1.00 ALDH1A1 (0.62) ALDH1A1GLAGAAMAPTL3MBTL1
SCHEMBL2847484 0.95 L3MBTL1 (0.59) ALDH1A1GLAGAAMAPTL3MBTL1
SCHEMBL2846692 0.93 L3MBTL1 (0.62) ALDH1A1GLAGAAL3MBTL1TSHR
SCHEMBL2841062 0.91 L3MBTL1 (0.66) ALDH1A1GLAGAAMAPTL3MBTL1
SCHEMBL2842383 0.91 L3MBTL1 (0.56) ALDH1A1GLAGAAMAPTL3MBTL1
SCHEMBL2846591 0.91 L3MBTL1 (0.66) ALDH1A1GAAMAPTL3MBTL1TSHR
SCHEMBL2843205 0.90 MAPT (0.55) ALDH1A1GLAGAAMAPTL3MBTL1
SCHEMBL2843212 0.90 TSHR (0.64) GAAMAPTL3MBTL1TP53TSHR
SCHEMBL2843891 0.89 L3MBTL1 (0.50) ALDH1A1GLAGAAL3MBTL1TSHR

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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