SCHEMBL4050796

SCHEMBL4050796

CN(S)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.73
PTGES O14684 1/20 0.66
KMT2A Q03164 7/20 0.61
MEN1 O00255 6/20 0.61
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 3/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 2/20 0.55
RAB9A P51151 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MYOC Q99972 1/20 0.55
POLB P06746 3/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
TGM2 P21980 1/20 0.53
ATM Q13315 1/20 0.52
NAMPT P43490 1/20 0.51
MITF O75030 1/20 0.51

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
SCHEMBL3836117 0.86 GAA (0.78) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL7621088 0.85 GAA (1.00) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL11180078 0.81 GAA (0.69) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL6815793 0.79 KMT2A (0.59) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL27491602 0.79 ALDH1A1 (0.70) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL2231790 0.78 GAA (0.57) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL7616591 0.78 GAA (0.69) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL27898872 0.78 GAA (0.65) GAAPTGESKMT2AMEN1ALDH1A1
SCHEMBL8848976 0.77 KMT2A (0.71) GAAKMT2AMEN1ALDH1A1NPC1
SCHEMBL642700 0.77 KMT2A (0.81) GAAKMT2AMEN1ALDH1A1NPC1

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-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed