SCHEMBL7023016

SCHEMBL7023016

CN(C)CC[CH]CNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 8/20 0.48
RAB9A P51151 7/20 0.48
MEN1 O00255 7/20 0.48
NPC1 O15118 6/20 0.48
MAPT P10636 6/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.47
TLR9 Q9NR96 1/20 0.46
KDM4E B2RXH2 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL2681134 0.82 SMN1; SMN2 (0.56) SMN1; SMN2POLBKMT2ARAB9AMEN1
SCHEMBL30648848 0.82 SMN1; SMN2 (0.56) SMN1; SMN2POLBKMT2ARAB9AMEN1
SCHEMBL9794274 0.80 SMN1; SMN2 (0.53) SMN1; SMN2POLBKMT2ARAB9AMEN1
SCHEMBL8898674 0.79 SMN1; SMN2 (0.58) SMN1; SMN2POLBKMT2ARAB9AMEN1
SCHEMBL5094621 0.79 DPP4 (0.54) SMN1; SMN2POLBKMT2ARAB9AMEN1
SCHEMBL7017026 0.76 SMN1; SMN2 (0.58) SMN1; SMN2POLBKMT2ARAB9AMEN1
SCHEMBL7016469 0.75 SMN1; SMN2 (0.48) SMN1; SMN2POLBKMT2ARAB9AMEN1
SCHEMBL5151678 0.74 GAA (0.64) SMN1; SMN2POLBKMT2ARAB9AMEN1
SCHEMBL13233272 0.72 KMT2A (0.64) SMN1; SMN2POLBKMT2ARAB9AMEN1
SCHEMBL5650522 0.72 SMN1; SMN2 (0.60) SMN1; SMN2POLBKMT2ARAB9AMEN1

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