SCHEMBL2840994

SCHEMBL2840994

O=S(=O)(NCC(c1ccc2c(c1)OCO2)N1CCOCC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.58
▸ MAPT P10636 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ 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
SCHEMBL2840117 0.93 TP53 (0.48) TP53ALDH1A1LMNA
SCHEMBL2838360 0.92 TP53 (0.47) TP53ALDH1A1LMNA
SCHEMBL2837650 0.90 TP53 (0.57) TP53MAPTLMNA
SCHEMBL2841679 0.90 ALDH1A1 (0.56) TP53ALDH1A1LMNA
SCHEMBL2841104 0.89 TP53 (0.47) TP53KMT2ALMNA
SCHEMBL2841776 0.86 LMNA (0.52) TP53ALDH1A1LMNA
SCHEMBL13381547 0.85 KMT2A (0.44) TP53MAPTMEN1KMT2ALMNA
SCHEMBL2847041 0.83 TP53 (0.55) TP53MAPTLMNA
SCHEMBL2836208 0.82 LMNA (0.53) TP53MAPTLMNA
SCHEMBL2838161 0.82 MAPT (0.61) TP53MAPTLMNA

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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