Pentachloronitrobenzene

Pentachloronitrobenzene

SCHEMBL4285722

Nc1c(Cl)cc([N+](=O)[O-])cc1Cl.O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.78
TSHR P16473 2/20 0.53
HSD17B10 Q99714 1/20 0.46
GPR35 Q9HC97 2/20 0.44
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.41
PDE7A Q13946 4/20 0.40
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TLR9 Q9NR96 1/20 0.39
CYP19A1 P11511 1/20 0.39
ADRA2A P08913 1/20 0.38

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
Allisan SCHEMBL229362 0.88 ALDH1A1 (1.00) ALDH1A1TSHRHSD17B10GPR35HTT
Allisan SCHEMBL28117103 0.86 ALDH1A1 (0.88) ALDH1A1HSD17B10GPR35HTTPOLB
Allisan SCHEMBL9721958 0.86 ALDH1A1 (0.95) ALDH1A1TSHRHSD17B10GPR35HTT
Allisan SCHEMBL10586241 0.84 ALDH1A1 (0.91) ALDH1A1TSHRHSD17B10GPR35HTT
Allisan SCHEMBL9579488 0.79 ALDH1A1 (0.81) ALDH1A1TSHRHSD17B10GPR35HTT
SCHEMBL11356042 0.79 ALDH1A1 (0.80) ALDH1A1TSHRHSD17B10GPR35HTT
SCHEMBL9427988 0.78 ALDH1A1 (0.70) ALDH1A1TSHRHSD17B10GPR35HTT
Pentachloronitrobenzene SCHEMBL8923131 0.78 TSHR (0.50) ALDH1A1TSHRHTTCYP3A4KMT2A
SCHEMBL1501666 0.77 ALDH1A1 (0.77) ALDH1A1TSHRHSD17B10GPR35HTT
SCHEMBL29597525 0.77 ALDH1A1 (0.77) ALDH1A1TSHRHSD17B10GPR35HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227573-B2 Utility of phylloplanins as antibiotics, selective fungicides and for enhancing microbial resistance in plants UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-07-24 US disclosed
US-20090281038-A1 Phylloplanins Inhibition of Microbial Growth on Organic Materials UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2009-11-12 US disclosed
US-20090215667-A1 Utility of phylloplanins as antibiotics, selective fungicides and for enhancing microbial resistance in plants UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2009-08-27 US disclosed