SCHEMBL7020671

SCHEMBL7020671

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 9/20 0.49
MEN1 O00255 8/20 0.49
MAPT P10636 7/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 8/20 0.47
NPC1 O15118 6/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.44

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
SCHEMBL7017028 0.83 MEN1 (0.53) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL5089393 0.81 GAA (0.48) SMN1; SMN2POLBKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL5094689 0.80 GAA (0.47) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL3018141 0.76 ALDH1A1 (0.60) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL30716729 0.76 ALDH1A1 (0.60) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL17198268 0.76 MEN1 (0.55) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL3569980 0.76 SMN1; SMN2 (0.63) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL3933135 0.76 GAA (0.55) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL7016473 0.75 KMT2A (0.46) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL13229215 0.75 HCAR3 (0.56) SMN1; SMN2POLBKMT2AMEN1MAPT

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