SCHEMBL28002467

SCHEMBL28002467

O=[N+]([O-])c1ccc(N=Nc2ccccc2O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 4/20 0.59
MAPT P10636 3/20 0.59
POLB P06746 3/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 1/20 0.53
GPR35 Q9HC97 2/20 0.51
KCNMA1 Q12791 2/20 0.48
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
BAX Q07812 2/20 0.47
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL8556068 0.90 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL10898315 0.90 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL31307193 0.90 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL8851790 0.89 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL8851788 0.89 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL11694220 0.85 ALDH1A1 (0.79) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL11694225 0.85 ALDH1A1 (0.79) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL4278053 0.83 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL4278058 0.83 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL4278065 0.83 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTPOLB

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
CN-104371422-A Ink-jet printer ink HUNAN TENVEE INFORMATION TECHNOLOGY CO LTD 2015-02-25 CN disclosed