SCHEMBL12644402

SCHEMBL12644402

Cc1cc(CCc2ccc(COc3ccc([N+](=O)[O-])cc3)nc2)cc(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ MAOB P27338 3/20 0.46
▸ KCNH2 Q12809 2/20 0.44
▸ MAPT P10636 5/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ CACNA1C Q13936 1/20 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
SCHEMBL12644451 0.86 MAOB (0.45) LMNAMAOBKCNH2MAPTMAPK1
SCHEMBL13551971 0.81 GAA (0.45) MAOBKCNH2MAPTMEN1KMT2A
SCHEMBL13551992 0.78 MAPT (0.44) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL19387677 0.77 HTR2A (0.37) LMNAMAOBKCNH2MAPTMAPK1
SCHEMBL1818150 0.77 LMNA (0.60) LMNAMAOBMAPTMEN1KMT2A
SCHEMBL12644251 0.76 MAOB (0.59) LMNAMAOBMAPTMAPK1MEN1
SCHEMBL12644466 0.74 MAPT (0.44) MAOBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12644214 0.74 KMT2A (0.55) MAOBKCNH2MAPTMAPK1MEN1
SCHEMBL12643999 0.72 MAPT (0.42) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL19387723 0.72 MAOB (0.35) LMNAMAOBKCNH2MAPTMAPK1

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-2011075210-A2 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 — — WO disclosed
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