SCHEMBL2904400

SCHEMBL2904400

C[C@@H](CO)NC(=O)c1cn(CCCNc2ccc([N+](=O)[O-])c(N)n2)cc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 8/20 0.43
FEN1 P39748 8/20 0.43
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 4/20 0.35
HTT P42858 3/20 0.35
GAA P10253 2/20 0.35
GSK3B P49841 2/20 0.34
GSK3A P49840 1/20 0.34
THRB P10828 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
STAT3 P40763 1/20 0.31

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
SCHEMBL2912014 1.00 ALOX5AP (0.43) ALOX5APFEN1MEN1KMT2APKM
SCHEMBL2909689 0.92 ALOX5AP (0.36) ALOX5APFEN1GSK3BGSK3AMAPK1
SCHEMBL2906814 0.92 ALOX5AP (0.36) ALOX5APFEN1GSK3BGSK3AMAPK1
SCHEMBL2909824 0.91 ALOX5AP (0.39) ALOX5APFEN1MEN1KMT2APKM
SCHEMBL2913352 0.91 ALOX5AP (0.39) ALOX5APFEN1MEN1KMT2APKM
SCHEMBL2944754 0.90 ALOX5AP (0.35) ALOX5APFEN1MEN1KMT2AGSK3B
SCHEMBL2905628 0.90 ALOX5AP (0.35) ALOX5APFEN1MEN1KMT2AGSK3B
SCHEMBL2905208 0.90 GSK3B (0.42) ALOX5APFEN1MEN1KMT2AGSK3B
SCHEMBL2912215 0.90 GSK3B (0.42) ALOX5APFEN1MEN1KMT2AGSK3B
SCHEMBL2909381 0.89 MAPT (0.38) ALOX5APFEN1MEN1KMT2APKM

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
EP-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 EP disclosed