SCHEMBL27796244

SCHEMBL27796244

CC(=O)Nc1cc([N+](=O)[O-])c(NC(C)=O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 1/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HTT P42858 2/20 0.51
▸ POLB P06746 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ GALR2 O43603 1/20 0.50
▸ MITF O75030 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ XBP1 P17861 1/20 0.50
▸ CCR6 P51684 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PDE7A Q13946 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ PKM P14618 1/20 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
SCHEMBL8513944 0.92 MAPT (0.55) SLC9A1NPSR1MAPTHTTPOLB
SCHEMBL6354726 0.90 SLC9A1 (0.59) SLC9A1NPSR1MAPTHTTPOLB
SCHEMBL10759973 0.90 SLC9A1 (0.63) SLC9A1NPSR1MAPTHTTPOLB
SCHEMBL29386167 0.90 SLC9A1 (0.63) SLC9A1NPSR1MAPTHTTPOLB
SCHEMBL8611539 0.88 SLC9A1 (0.64) SLC9A1NPSR1MAPTHTTPOLB
SCHEMBL863876 0.87 SLC9A1 (0.53) SLC9A1NPSR1MAPTHTTPOLB
SCHEMBL6167927 0.86 MAPT (0.50) SLC9A1NPSR1MAPTHTTPOLB
SCHEMBL11252461 0.86 MAPT (0.50) SLC9A1NPSR1MAPTHTTPOLB
SCHEMBL21989034 0.86 SLC9A1 (0.52) SLC9A1NPSR1MAPTHTTPOLB
SCHEMBL7682200 0.86 SLC9A1 (0.55) SLC9A1NPSR1MAPTHTTPOLB

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
CN-101891632-B Preparation method of 2-chloro-5-nitro-1, 4-p-phenylenediamine OKEANOS TECH CO LTD 2012-04-25 — — CN disclosed
CN-101891632-A Preparation method of 2-chlorine-5-nitro-1,4-p-phenylenediamine OKEANOS TECH CO LTD 2010-11-24 — — CN disclosed
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