SCHEMBL20165830

SCHEMBL20165830

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
SLC9A1 P19634 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.41
PDE7A Q13946 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
RORC P51449 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
SCHEMBL11094360 0.86 KMT2A (0.45) KMT2AMAPTNPSR1CA1CA2
SCHEMBL20165834 0.83 HTT (0.54) KMT2AMAPTNPSR1HTTALDH1A1
SCHEMBL6107960 0.81 KMT2A (0.47) KMT2AMAPTNPSR1CA1CA2
SCHEMBL6491502 0.81 SMN1; SMN2 (0.45) KMT2AMAPTNPSR1HTTALDH1A1
SCHEMBL20535978 0.81 TSHR (0.47) KMT2AMAPTNPSR1CA1CA2
SCHEMBL5562914 0.80 PRMT1 (0.41) KMT2AMAPTHTTTSHRALDH1A1
SCHEMBL10668450 0.79 KMT2A (0.41) KMT2AMAPTNPSR1CA1CA2
SCHEMBL8459091 0.78 KDM4E (0.45) KMT2AMAPTNPSR1CA1CA2
SCHEMBL11527208 0.77 KMT2A (0.43) KMT2AMAPTHTTTSHRALDH1A1
SCHEMBL9703477 0.77 MEN1 (0.50) KMT2AMAPTTSHRALDH1A1MEN1

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