SCHEMBL3262265

SCHEMBL3262265

CO[C@@H]1CC(NC(=O)O)CN(c2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
PIM1 P11309 2/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MMP2 P08253 4/20 0.34
ANPEP P15144 4/20 0.34
CHRM4 P08173 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL2281174 1.00 MAPT (0.39) MAPTPIM1PIM3PIM2KMT2A
SCHEMBL2281170 1.00 MAPT (0.39) MAPTPIM1PIM3PIM2KMT2A
SCHEMBL3262271 1.00 MAPT (0.39) MAPTPIM1PIM3PIM2KMT2A
SCHEMBL4433871 0.89 MEN1 (0.41) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL4119028 0.88 KDM4D (0.36) MAPTPIM1PIM3PIM2KMT2A
SCHEMBL3263210 0.88 MAPT (0.34) MAPTKMT2AMEN1HTTGAA
SCHEMBL4435515 0.88 MAPT (0.34) MAPTKMT2AMEN1HTTGAA
SCHEMBL14972648 0.88 MAPT (0.34) MAPTKMT2AMEN1HTTGAA
SCHEMBL14972645 0.88 MAPT (0.34) MAPTKMT2AMEN1HTTGAA
SCHEMBL4435520 0.88 MAPT (0.34) MAPTKMT2AMEN1HTTGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010026122-A1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed