SCHEMBL8070122

SCHEMBL8070122

C#Cc1cc([N+](=O)[O-])c(C)cc1NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.45
GALR2 O43603 1/20 0.45
MITF O75030 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
CCR6 P51684 1/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 2/20 0.41
PTPN11 Q06124 1/20 0.39
SLC9A1 P19634 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
SCHEMBL8084032 0.84 SLC9A1 (0.52) HTTSMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL2929136 0.82 NPSR1 (0.51) HTTSMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL5203193 0.79 GAA (0.55) HTTSMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL30707885 0.78 SLC9A1 (0.50) HTTSMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL11525234 0.78 SLC9A1 (0.50) HTTSMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL11638099 0.78 POLB (0.48) HTTSMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL29589120 0.77 HTT (0.63) HTTSMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL27006242 0.77 HTT (0.63) HTTSMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL14903460 0.77 RECQL (0.57) HTTSMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL29725300 0.77 RECQL (0.57) HTTSMN1; SMN2NPSR1ALDH1A1POLB

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-0911317-B1 Process for the preparation of 2-hydroyalkyl paraphenylenediamines, novel 2-hydroxyalkyl paraphenylenediamines, their use for oxydative dyeing, dye compositions and dyeing processes OREAL (FR) 2000-09-13 EP disclosed
EP-0911317-A1 Process for the preparation of 2-hydroyalkyl paraphenylenediamines, novel 2-hydroxyalkyl paraphenylenediamines, their use for oxydative dyeing, dye compositions and dyeing processes L'OREAL (FR) 1999-04-28 EP disclosed