SCHEMBL27685352

SCHEMBL27685352

Nc1ccc(NC=O)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
TDP1 Q9NUW8 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 3/20 0.55
POLB P06746 2/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
FFAR4 Q5NUL3 1/20 0.52
TSHR P16473 2/20 0.51
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL4220780 0.84 TSHR (0.47) MAPTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL28952779 0.82 MAPT (0.50) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL9751370 0.80 ALDH1A1 (0.43) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL7528440 0.79 ALDH1A1 (0.55) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL6754385 0.79 LMNA (0.54) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL7530821 0.79 VCAM1 (0.62) MAPTMEN1KMT2APOLBGAA
SCHEMBL112673 0.79 TSHR (0.59) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL23142513 0.77 MAPT (0.56) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL30767120 0.77 MAPT (0.56) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL2517648 0.77 ALDH5A1 (0.62) MAPTTDP1MEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101043918-B Cationic azacyanine dyes and colorants containing said dyes PROCTER & GAMBLE 2010-05-26 CN disclosed
CN-101043918-A Cationic azacyanine dyes and colorants containing said dyes PROCTER & GAMBLE (US) 2007-09-26 CN disclosed