SCHEMBL1906181

SCHEMBL1906181

COCC1CCN(c2cc(Oc3ccc(C=O)cc3-c3ccccc3)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.40
MAPK1 P28482 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 10/20 0.39
ALDH1A3 P47895 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 1/20 0.36
HTR6 P50406 1/20 0.35
TTR P02766 1/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5140395 0.82 MAPT (0.46) MAPTMAPK1TDP1ALDH1A1MEN1
SCHEMBL5188249 0.78 MAPT (0.40) MAPTMAPK1TDP1ALDH1A1ALDH1A3
SCHEMBL1906183 0.77 MAPT (0.45) MAPTMAPK1TDP1ALDH1A1MEN1
SCHEMBL390184 0.76 MAPT (0.45) MAPTMAPK1TDP1ALDH1A1MEN1
SCHEMBL388754 0.73 MAPT (0.44) MAPTMAPK1TDP1ALDH1A1MEN1
SCHEMBL23884730 0.71 MAPT (0.55) MAPTMAPK1TDP1ALDH1A1ALDH1A3
SCHEMBL30231403 0.71 MAPT (0.55) MAPTMAPK1TDP1ALDH1A1ALDH1A3
SCHEMBL23884819 0.70 MAPT (0.58) MAPTMAPK1TDP1ALDH1A1ALDH1A3
SCHEMBL389643 0.70 MAPT (0.45) MAPTMAPK1TDP1ALDH1A1MEN1
SCHEMBL23884752 0.69 MAPT (0.62) MAPTMAPK1ALDH1A1ALDH1A3MEN1

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-2322150-A2 Method of identifying GLP-1 secretagogues Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed