SCHEMBL13942702

SCHEMBL13942702

CCOc1cccc(/C=C/Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.54
▸ LMNA P02545 3/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 7/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ POLB P06746 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GBA1 P04062 2/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ GAA P10253 2/20 0.42

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
SCHEMBL13091221 0.85 MAPT (0.60) MAPTLMNAHTTKMT2AMEN1
SCHEMBL29345146 0.73 LMNA (0.94) MAPTLMNAHTTKMT2AMEN1
SCHEMBL3063942 0.72 MAPT (0.59) MAPTLMNAHTTKMT2AMEN1
SCHEMBL14291439 0.72 MAPT (0.59) MAPTLMNAHTTKMT2AMEN1
SCHEMBL13943786 0.72 LMNA (0.58) MAPTLMNAHTTKMT2AMEN1
SCHEMBL14291437 0.72 MAPT (0.58) MAPTLMNAHTTKMT2AMEN1
SCHEMBL11810697 0.71 LMNA (1.00) MAPTLMNAHTTKMT2AMEN1
SCHEMBL3115297 0.70 LMNA (0.77) MAPTLMNAHTTKMT2AMEN1
SCHEMBL30139086 0.70 LMNA (0.77) MAPTLMNAHTTKMT2AMEN1
SCHEMBL757098 0.70 LMNA (0.77) MAPTLMNAHTTKMT2AMEN1

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
EP-2194783-B1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC (US) 2017-07-05 — — EP disclosed
WO-2009023558-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. (US) 2009-02-19 — — WO disclosed
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