SCHEMBL7198334

SCHEMBL7198334

O=C(O)c1cnc(NCCNc2ccc([N+](=O)[O-])cn2)nc1-c1ccc(N2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DPP4 P27487 4/20 0.46
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
STAT6 P42226 1/20 0.41
GSK3B P49841 1/20 0.41
MERTK Q12866 2/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
JAK2 O60674 2/20 0.40
JAK3 P52333 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL6086445 0.91 ALDH1A1 (0.52) MEN1KMT2ADPP4ALDH1A1CYP1A2
SCHEMBL7856343 0.91 DPP4 (0.45) DPP4ALDH1A1STAT6GSK3BMKNK1
SCHEMBL7856342 0.91 DPP4 (0.45) DPP4ALDH1A1STAT6GSK3BMKNK1
SCHEMBL6085442 0.89 MAPT (0.43) MEN1KMT2ADPP4ALDH1A1GSK3B
SCHEMBL5089316 0.87 GSK3B (0.48) MEN1KMT2ADPP4ALDH1A1CYP1A2
SCHEMBL6085617 0.86 STAT6 (0.45) ALDH1A1STAT6GSK3BMERTKJAK2
SCHEMBL5101064 0.85 KMT2A (0.43) MEN1KMT2ADPP4ALDH1A1CYP1A2
SCHEMBL7026103 0.84 GSK3B (0.45) MEN1KMT2ADPP4ALDH1A1CYP1A2
SCHEMBL27559775 0.83 GSK3B (0.48) MEN1KMT2ADPP4ALDH1A1CYP1A2
SCHEMBL27570898 0.82 MKNK1 (0.44) DPP4ALDH1A1GSK3BMERTKMKNK1

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