SCHEMBL2909381

SCHEMBL2909381

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
HTT P42858 3/20 0.38
GAA P10253 2/20 0.38
THRB P10828 1/20 0.35
CFTR P13569 1/20 0.34
GSK3B P49841 2/20 0.34
GSK3A P49840 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.33
SERPINE1 P05121 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
GPR52 Q9Y2T5 1/20 0.31
ACSS2 Q9NR19 2/20 0.31
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
SCHEMBL2907210 1.00 MAPT (0.38) MAPTHTTGAATHRBCFTR
SCHEMBL2912211 0.92 TGFBR1 (0.36) MAPTGSK3BGSK3ALMNAALDH1A1
SCHEMBL2907527 0.92 TGFBR1 (0.36) MAPTGSK3BGSK3ALMNAALDH1A1
SCHEMBL2912314 0.90 GSK3B (0.35) MAPTCFTRGSK3BGSK3ALMNA
SCHEMBL2911262 0.90 GSK3B (0.42) GSK3BGSK3ALMNAALDH1A1SMN1; SMN2
SCHEMBL2907739 0.90 GSK3B (0.42) GSK3BGSK3ALMNAALDH1A1SMN1; SMN2
SCHEMBL2911304 0.90 GSK3B (0.35) MAPTCFTRGSK3BGSK3ALMNA
SCHEMBL2910052 0.90 MAPT (0.34) MAPTHTTGAATHRBCFTR
SCHEMBL2910524 0.90 MAPT (0.34) MAPTHTTGAATHRBCFTR
SCHEMBL2904400 0.89 ALOX5AP (0.43) MAPTHTTGAATHRBGSK3B

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