SCHEMBL4464206

SCHEMBL4464206

CCOC(=O)C1CCN(c2cc(Oc3ccc(S(=O)(=O)CCN)cc3)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
CTSB P07858 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GPR119 Q8TDV5 5/20 0.51
VCAM1 P19320 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
LGMN Q99538 1/20 0.44
KCNH2 Q12809 2/20 0.43
PARP10 Q53GL7 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL390496 0.83 MAPT (0.53) MAPTTP53HTTCTSBALDH1A1
SCHEMBL390151 0.82 MAPT (0.55) MAPTTP53HTTCTSBALDH1A1
SCHEMBL389367 0.81 MAPT (0.59) MAPTTP53HTTCTSBALDH1A1
SCHEMBL386366 0.81 MAPT (0.55) MAPTTP53HTTCTSBALDH1A1
SCHEMBL20522603 0.81 MAPT (0.63) MAPTTP53HTTCTSBALDH1A1
SCHEMBL14018246 0.81 MAPT (0.52) MAPTTP53HTTCTSBALDH1A1
SCHEMBL389027 0.81 GPR119 (0.55) MAPTTP53HTTCTSBALDH1A1
SCHEMBL389195 0.81 GPR119 (0.63) MAPTTP53HTTCTSBALDH1A1
SCHEMBL388740 0.80 GPR119 (0.64) MAPTTP53HTTCTSBALDH1A1
SCHEMBL6529147 0.76 MAPT (0.68) MAPTTP53HTTCTSBALDH1A1

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
EP-1808168-B1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARM INC (US) 2009-06-03 EP disclosed