SCHEMBL20165834

SCHEMBL20165834

CC(=O)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-].CC(=O)Nc1ccc(Cl)c(Cl)c1.CC(=O)Nc1ccc(Cl)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
KMT2A Q03164 7/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 8/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
XBP1 P17861 1/20 0.47
ALDH3A1 P30838 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
IDO1 P14902 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL20165830 0.83 KMT2A (0.46) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL8513944 0.80 MAPT (0.55) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL12426042 0.76 HTT (0.82) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL358946 0.75 HTT (0.61) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL31171019 0.75 HTT (0.61) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL2337052 0.75 KMT2A (0.67) HTTKMT2AMEN1MAPTLMNA
SCHEMBL10790188 0.73 HTT (0.68) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL27796244 0.73 SLC9A1 (0.56) HTTKMT2AMAPTALDH1A1LMNA
SCHEMBL4548035 0.73 EPHX1 (0.70) HTTKMT2AMEN1MAPTLMNA
SCHEMBL20535978 0.72 TSHR (0.47) HTTKMT2AMEN1MAPTALDH1A1

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
WO-2018091978-A1 A PROCESS FOR THE PREPARATION OF 2-NITRO-4,5- DICHLOROACETANILIDE AMOGH CHEMICALS PVT. LTD (IN) 2018-05-24 WO disclosed