SCHEMBL9017792

SCHEMBL9017792

CSc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
AR P10275 1/20 0.44
GPR35 Q9HC97 2/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MAPT P10636 5/20 0.42
BACE1 P56817 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.41
EGFR P00533 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL29662266 0.85 BACE1 (0.45) ARGPR35ESR1ESR2BACE1
SCHEMBL2935849 0.85 BACE1 (0.45) ARGPR35ESR1ESR2BACE1
SCHEMBL8780956 0.81 MAPT (0.48) TXNRD1TXNRD3TXNRD2ESR1ESR2
SCHEMBL7597811 0.79 TSHR (0.62) TXNRD1TXNRD3TXNRD2GPR35MAPT
SCHEMBL8973665 0.79 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2GPR35MAPT
SCHEMBL16955575 0.79 MAPT (0.56) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL1454766 0.79 PDE7A (0.55) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL8669659 0.78 PDE7A (0.61) MEN1KMT2AMAPK1
SCHEMBL3874156 0.78 PDE7A (0.58) TXNRD1TXNRD3TXNRD2MAPTMEN1
SCHEMBL2650807 0.78 TXNRD1 (0.46) TXNRD1TXNRD3TXNRD2MAPTMEN1

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
EP-0591060-B1 4-Substituted meta amino phenols, process for their preparation their use in dyeing keratinic fibres and intermediates used in their preparation OREAL (FR) 1996-12-18 EP claimed
EP-0591060-A1 4-Substituted meta amino phenols, process for their preparation their use in dyeing keratinic fibres and intermediates used in their preparation L'OREAL (FR) 1994-04-06 EP claimed