SCHEMBL6269658

SCHEMBL6269658

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.54
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP14 P50281 1/20 0.50
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45

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
SCHEMBL6429351 0.82 CA12 (0.48) TGM2CA12CA1MMP2MMP9
SCHEMBL6269067 0.79 CA1 (0.54) TGM2CA12CA1MMP2MMP9
SCHEMBL5539582 0.78 TGM2 (0.47) TGM2CA12MEN1KMT2AHPGD
SCHEMBL14935791 0.76 CA12 (0.54) TGM2CA12CA1MMP2MMP9
SCHEMBL9754754 0.76 CA1 (0.50) TGM2CA12CA1MMP2MMP9
SCHEMBL515915 0.76 CA12 (0.54) CA12CA1MMP2MMP9MMP8
SCHEMBL8373371 0.76 CA12 (0.54) CA12CA1MMP2MMP9MMP8
SCHEMBL515914 0.76 CA12 (0.54) CA12CA1MMP2MMP9MMP8
SCHEMBL2034750 0.76 CA12 (0.54) TGM2CA12CA1MMP2MMP9
SCHEMBL10600425 0.75 TGM2 (0.50) TGM2CA12CA1MMP2MMP9

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-1580186-A1 Secondary p-phenylendiamines containing a carboxylic acid group, dye composition containing them, processes and uses L'OREAL (FR) 2005-09-28 EP disclosed