SCHEMBL13375233

SCHEMBL13375233

O=[N+]([O-])c1c[nH]nc1-c1nc2cc(CO)c(Cl)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.44
NPC1 O15118 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
NPBWR1 P48145 7/20 0.37
GAA P10253 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RHEB Q15382 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
GALR3 O60755 1/20 0.34
AMY1A P0DUB6 2/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 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
SCHEMBL5952807 0.87 NPC1 (0.46) NPC1MAPTRAB9ANPBWR1GAA
SCHEMBL13375197 0.81 CBFB (0.47) CBFBNPC1MAPTRAB9AGAA
SCHEMBL5952630 0.81 AMY1A (0.49) NPC1MAPTRAB9ANPBWR1GAA
SCHEMBL5952046 0.80 NPBWR1 (0.46) NPC1MAPTRAB9ANPBWR1GAA
SCHEMBL5952615 0.79 GAA (0.46) NPC1MAPTRAB9ANPBWR1GAA
SCHEMBL13375032 0.79 CBFB (0.40) CBFBNPC1MAPTRAB9ANPBWR1
SCHEMBL5952684 0.77 NPBWR1 (0.44) NPC1MAPTRAB9ANPBWR1HTT
SCHEMBL5952633 0.77 GUSB (0.48) CBFBNPC1MAPTRAB9ANPBWR1
SCHEMBL13375241 0.75 NPBWR1 (0.37) CBFBNPC1MAPTRAB9ANPBWR1
SCHEMBL546457 0.75 AMY1A (0.49) NPC1MAPTRAB9ANPBWR1GAA

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