SCHEMBL6259751

SCHEMBL6259751

O=C(O)CCNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
GLA P06280 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 11/20 0.56
HPGD P15428 3/20 0.56
ALOX12 P18054 1/20 0.56
HSP90AA1 P07900 1/20 0.56
KDM4E B2RXH2 1/20 0.55
POLB P06746 2/20 0.54
MAPK1 P28482 1/20 0.54
MPI P34949 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
GAA P10253 2/20 0.54
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 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
SCHEMBL9509667 0.90 ALDH1A1 (0.64) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL4829828 0.87 ALDH1A1 (0.61) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL9840107 0.87 ALDH1A1 (0.61) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL29170682 0.85 ALDH1A1 (0.66) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL9003269 0.83 MAPT (0.70) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL1126414 0.82 MAPT (0.59) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL7984789 0.81 MAPT (0.64) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL27182713 0.81 POLB (0.66) ALDH1A1SMN1; SMN2MAPTHPGDPOLB
SCHEMBL28122216 0.81 MAPT (0.58) ALDH1A1GLASMN1; SMN2MAPTHPGD
SCHEMBL1024700 0.80 MAPT (0.61) ALDH1A1GLASMN1; SMN2MAPTHPGD

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