SCHEMBL6128279

SCHEMBL6128279

COC(=O)c1ccc(Oc2ncccc2I)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.56
▸ MAPT P10636 6/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ PDE10A Q9Y233 2/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ P2RY1 P47900 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ NPC1 O15118 1/20 0.43

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
SCHEMBL13331058 0.83 PDE10A (0.56) TDP1MAPTKDM4EPOLBKMT2A
SCHEMBL6120085 0.81 RAB9A (0.67) TDP1MAPTKDM4EPOLBKMT2A
SCHEMBL4318737 0.80 LMNA (0.53) TDP1MAPTKDM4EPOLBKMT2A
SCHEMBL14878634 0.77 PDE10A (0.60) TDP1MAPTKDM4EPOLBKMT2A
SCHEMBL1304356 0.77 MAPT (0.50) TDP1MAPTKDM4EPOLBL3MBTL1
SCHEMBL27501722 0.76 CA1 (0.53) TDP1MAPTKDM4EPOLBKMT2A
SCHEMBL28901154 0.75 CA1 (0.60) TDP1MAPTKDM4EPOLBKMT2A
SCHEMBL693025 0.75 MAPT (0.62) TDP1MAPTKDM4EPOLBKMT2A
SCHEMBL3530054 0.75 KMT2A (0.64) TDP1MAPTKDM4EKMT2AMEN1
SCHEMBL13005228 0.74 PDE10A (0.51) TDP1MAPTPOLBKMT2AMEN1

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-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 — — WO disclosed
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