SCHEMBL13373367

SCHEMBL13373367

CC(O)c1cc2nc[nH]c2cc1CO

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.36
PDE2A O00408 2/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
MMP12 P39900 1/20 0.35
QPCT Q16769 4/20 0.34
PRKCI P41743 1/20 0.34
RAD52 P43351 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL13373552 0.79 MAPT (0.43) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL7216263 0.77 MAPT (0.48) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL7220759 0.77 MAPT (0.48) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL24192686 0.74 PDE2A (0.42) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL22433010 0.72 MAPT (0.50) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL2508937 0.72 MAPT (0.50) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL24191926 0.71 PDE2A (0.42) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL12388161 0.68 MAPT (0.46) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL16710806 0.68 MAPT (0.42) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL20954118 0.68 EPHX1 (0.44) MAPTKDM4EALDH1A1APEX1RECQL

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
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed