SCHEMBL7022685

SCHEMBL7022685

O=[N+]([O-])c1ccc(NC[CH]c2ncc(-c3cnc[nH]3)c(-c3ccccc3N3CCNCC3)n2)nc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
ALDH1A1 P00352 1/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP4 P27487 2/20 0.34
SRC P12931 2/20 0.34
GSK3B P49841 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
ADRB1 P08588 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
NPBWR1 P48145 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7250125 0.86 GSK3B (0.46) HTR7ALDH1A1POLBSMN1; SMN2DPP4
SCHEMBL7853884 0.85 SMN1; SMN2 (0.35) ALDH1A1POLBSMN1; SMN2DPP4GSK3B
SCHEMBL7022502 0.84 MEN1 (0.43) ALDH1A1POLBSMN1; SMN2GSK3BMKNK1
SCHEMBL7855802 0.79 MAPT (0.41) ALDH1A1POLBSMN1; SMN2GSK3BMAPT
SCHEMBL7852739 0.78 GSK3B (0.38) ALDH1A1POLBSMN1; SMN2GSK3BMAPT
SCHEMBL4970607 0.78 GSK3B (0.55) ALDH1A1POLBSMN1; SMN2GSK3BNPBWR1
SCHEMBL7022814 0.78 MAPT (0.39) ALDH1A1POLBSMN1; SMN2GSK3BNPBWR1
SCHEMBL7850973 0.76 GSK3B (0.40) ALDH1A1POLBSMN1; SMN2GSK3BMAPT
SCHEMBL7253650 0.71 GSK3B (0.46) ALDH1A1POLBSMN1; SMN2DPP4GSK3B
SCHEMBL7852170 0.70 GSK3B (0.60) ALDH1A1POLBSMN1; SMN2GSK3BMKNK1

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-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed