SCHEMBL13381547

SCHEMBL13381547

O=S(=O)(NCC(CN1CCOCC1)c1ccc2c(c1)OCO2)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ TP53 P04637 2/20 0.43
▸ ADAM33 Q9BZ11 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ USP9X Q93008 1/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL13381728 0.90 CHRM3 (0.46) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL2840994 0.85 TP53 (0.58) KMT2ATP53MEN1LMNAMAPT
SCHEMBL2846313 0.80 ADRB3 (0.47) KMT2AMEN1KDM4ESMN1; SMN2MAPT
SCHEMBL2840117 0.80 TP53 (0.48) TP53LMNA
SCHEMBL2838360 0.79 TP53 (0.47) TP53LMNA
SCHEMBL2837650 0.78 TP53 (0.57) TP53LMNAMAPT
SCHEMBL2841679 0.78 ALDH1A1 (0.56) TP53LMNA
SCHEMBL2841104 0.77 TP53 (0.47) KMT2ATP53LMNA
SCHEMBL2844651 0.76 MEN1 (0.41) KMT2ATP53MEN1LMNAMAPT
SCHEMBL2841776 0.74 LMNA (0.52) TP53SMN1; SMN2LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 — — WO disclosed
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