SCHEMBL8084032

SCHEMBL8084032

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.52
HTT P42858 2/20 0.46
CXCR2 P25025 2/20 0.45
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PDE7A Q13946 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GALR2 O43603 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
CCR6 P51684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.40
MERTK Q12866 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
SCHEMBL9012331 0.86 HTT (0.58) SLC9A1HTTCXCR2MAPTNPSR1
SCHEMBL8070122 0.84 HTT (0.47) SLC9A1HTTMAPTNPSR1PDE7A
SCHEMBL8611539 0.84 SLC9A1 (0.64) SLC9A1HTTCXCR2MAPTNPSR1
SCHEMBL6816581 0.82 CXCR2 (0.63) SLC9A1HTTCXCR2MAPTNPSR1
SCHEMBL6354726 0.82 SLC9A1 (0.59) SLC9A1HTTCXCR2MAPTNPSR1
SCHEMBL2972082 0.80 SLC9A1 (0.60) SLC9A1HTTCXCR2MAPTNPSR1
SCHEMBL29386167 0.79 SLC9A1 (0.63) SLC9A1HTTCXCR2MAPTNPSR1
SCHEMBL10759973 0.79 SLC9A1 (0.63) SLC9A1HTTCXCR2MAPTNPSR1
SCHEMBL30296307 0.78 SLC9A1 (0.55) SLC9A1HTTCXCR2MAPTNPSR1
SCHEMBL8513944 0.77 MAPT (0.55) SLC9A1HTTCXCR2MAPTNPSR1

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