SCHEMBL7103790

SCHEMBL7103790

CCc1nc(NCCNc2ccc([N+](=O)[O-])cn2)nc(-c2cc(Cl)cc(Cl)c2)c1C(=O)O.CCc1nc(NCCNc2ccc([N+](=O)[O-])cn2)nc(-c2cccc(F)c2)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
DPP4 P27487 1/20 0.36
MAPK8 P45983 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
POLB P06746 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
HPGD P15428 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
SCHEMBL7103787 0.92 GSK3B (0.38) GSK3BMAPTMEN1KMT2AALDH1A1
SCHEMBL7673820 0.83 MAPK8 (0.43) GSK3BMAPTMEN1KMT2AALDH1A1
SCHEMBL5092424 0.77 SMN1; SMN2 (0.46) GSK3BMAPTMEN1KMT2AALDH1A1
SCHEMBL5089087 0.76 POLB (0.50) GSK3BMAPTMEN1KMT2AALDH1A1
SCHEMBL5089170 0.76 SMN1; SMN2 (0.43) GSK3BMAPTMEN1KMT2AALDH1A1
SCHEMBL5089453 0.75 POLB (0.47) GSK3BMAPTMEN1KMT2AALDH1A1
SCHEMBL7107228 0.75 GSK3B (0.50) GSK3BMAPTMEN1KMT2AALDH1A1
SCHEMBL7855969 0.75 SCD (0.34) GSK3BMAPTMEN1KMT2AMKNK1
SCHEMBL5099951 0.75 MAPT (0.47) GSK3BMAPTMEN1KMT2AALDH1A1
SCHEMBL5101064 0.75 KMT2A (0.43) MAPTMEN1KMT2AALDH1A1GAA

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