SCHEMBL5188249

SCHEMBL5188249

COCC1CCN(c2cc(Oc3ccc(CC=O)cc3)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 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 8/20 0.38
LMNA P02545 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
HPGD P15428 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ALDH1A3 P47895 1/20 0.35

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 0.89 MAPT (0.46) MAPTMAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL5048668 0.88 SMN1; SMN2 (0.41) MAPTMAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL389643 0.85 MAPT (0.45) MAPTMAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL388754 0.85 MAPT (0.44) MAPTMAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL390184 0.82 MAPT (0.45) MAPTMAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL5188843 0.79 SMN1; SMN2 (0.38) MAPTMAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL1906181 0.78 MAPT (0.40) MAPTMAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL1906183 0.76 MAPT (0.45) MAPTMAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL5189238 0.76 GPR119 (0.40) MAPTMAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL5577991 0.75 MAPT (0.40) MAPTMAPK1TDP1SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758565-A2 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 Pharmaceuticals, Inc. (US) 2007-03-07 EP disclosed
WO-2006076231-A2 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 PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed