SCHEMBL7016473

SCHEMBL7016473

[CH2]C(CC(N)N(C)C)Nc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
RAB9A P51151 7/20 0.46
MEN1 O00255 6/20 0.46
NPC1 O15118 6/20 0.46
GAA P10253 3/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.41
ALOX12 P18054 1/20 0.40
TLR9 Q9NR96 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
SCHEMBL7023019 0.80 KMT2A (0.48) KMT2ARAB9AMEN1NPC1GAA
Hydrochloric Acid SCHEMBL5089382 0.79 GAA (0.42) KMT2ARAB9AMEN1NPC1GAA
SCHEMBL7017028 0.79 MEN1 (0.53) KMT2ARAB9AMEN1NPC1GAA
SCHEMBL10707768 0.76 ALDH1A1 (0.55) KMT2ARAB9AMEN1NPC1GAA
SCHEMBL7020671 0.75 SMN1; SMN2 (0.49) KMT2ARAB9AMEN1NPC1GAA
SCHEMBL17198268 0.72 MEN1 (0.55) KMT2ARAB9AMEN1NPC1GAA
SCHEMBL30716729 0.72 ALDH1A1 (0.60) KMT2ARAB9AMEN1NPC1GAA
SCHEMBL3018141 0.72 ALDH1A1 (0.60) KMT2ARAB9AMEN1NPC1GAA
SCHEMBL13229215 0.71 HCAR3 (0.56) KMT2ARAB9AMEN1NPC1GAA
SCHEMBL2791677 0.71 HCAR3 (0.56) KMT2ARAB9AMEN1NPC1GAA

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