SCHEMBL2846520

SCHEMBL2846520

CN1CCN(C(CNS(=O)(=O)c2ccc(Oc3cccnc3)cc2)c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.57
▸ ALDH1A1 P00352 5/20 0.54
▸ TP53 P04637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 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 0.91 TP53 (0.57) TP53LMNA
SCHEMBL2836208 0.87 LMNA (0.53) TP53LMNA
SCHEMBL2838161 0.87 MAPT (0.61) TSHRTP53LMNA
SCHEMBL13381505 0.86 TSHR (0.60) TSHRALDH1A1TP53LMNAKDM4E
SCHEMBL2841776 0.86 LMNA (0.52) TSHRALDH1A1TP53LMNA
SCHEMBL2841069 0.85 TP53 (0.49) TSHRTP53LMNA
SCHEMBL2836199 0.85 TP53 (0.52) TP53LMNA
SCHEMBL2847041 0.84 TP53 (0.55) TP53LMNA
SCHEMBL2841803 0.84 TP53 (0.59) TP53LMNA
SCHEMBL2846556 0.84 TP53 (0.53) TP53LMNA

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
Send feedback