SCHEMBL10697671

SCHEMBL10697671

CCOC(=O)N(C)c1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MERTK Q12866 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
TXNRD1 Q16881 3/20 0.41
GSR P00390 2/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.37
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1917380 0.82 PIN1 (0.41) ALDH1A1KMT2AMEN1
SCHEMBL10697769 0.77 TDP1 (0.38) ALDH1A1KMT2ATXNRD1MEN1TDP1
SCHEMBL30791429 0.77 PTGS1 (0.47) MAPTMERTKHTTALDH1A1KMT2A
SCHEMBL31063282 0.77 MAPT (0.38) MAPTMERTKHTTALDH1A1KMT2A
SCHEMBL963587 0.76 TXNRD1 (0.47) MAPTMERTKHTTALDH1A1TXNRD1
SCHEMBL937505 0.75 MERTK (0.49) MAPTMERTKHTTTXNRD1GSR
SCHEMBL29990867 0.75 MERTK (0.49) MAPTMERTKHTTTXNRD1GSR
SCHEMBL6642983 0.75 ALDH1A1 (0.48) MAPTMERTKHTTALDH1A1KMT2A
SCHEMBL6646943 0.75 MAPT (0.45) MAPTMERTKHTTALDH1A1KMT2A
SCHEMBL30889027 0.75 ALDH1A1 (0.48) MAPTMERTKHTTALDH1A1KMT2A

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-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP disclosed