SCHEMBL2910052

SCHEMBL2910052

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.34
HTT P42858 3/20 0.34
GAA P10253 2/20 0.34
THRB P10828 1/20 0.34
CFTR P13569 1/20 0.33
GSK3B P49841 3/20 0.33
GSK3A P49840 2/20 0.33
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
LMNA P02545 1/20 0.32
MET P08581 1/20 0.32
AXL P30530 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.31
SERPINE1 P05121 1/20 0.31
MYC P01106 1/20 0.31
MAX P61244 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL2910524 1.00 MAPT (0.34) MAPTHTTGAATHRBCFTR
SCHEMBL2938731 0.92 MET (0.34) MAPTHTTGSK3BGSK3AMEN1
SCHEMBL2908179 0.92 MET (0.34) MAPTHTTGSK3BGSK3AMEN1
SCHEMBL2911036 0.91 ALDH1A1 (0.34) MAPTGSK3BGSK3AMEN1KMT2A
SCHEMBL2911588 0.91 ALDH1A1 (0.34) MAPTGSK3BGSK3AMEN1KMT2A
SCHEMBL2906883 0.91 CFTR (0.38) CFTRGSK3BGSK3AMEN1KMT2A
SCHEMBL2911121 0.91 CFTR (0.38) CFTRGSK3BGSK3AMEN1KMT2A
SCHEMBL2904632 0.90 LMNA (0.34) MAPTGSK3BGSK3AMEN1KMT2A
SCHEMBL2907242 0.90 LMNA (0.34) MAPTGSK3BGSK3AMEN1KMT2A
SCHEMBL2904193 0.90 SMN1; SMN2 (0.40) MAPTHTTGSK3BGSK3AMEN1

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