SCHEMBL9015042

SCHEMBL9015042

O=[N+]([O-])c1[nH]c(-c2ccc(Cl)c(Cl)c2)c(Br)c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
PSD A5PKW4 4/20 0.36
AHR P35869 2/20 0.36
DCLK1 O15075 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
EGFR P00533 1/20 0.33
PRKACA P17612 1/20 0.33
FLT3 P36888 1/20 0.33
FRK P42685 1/20 0.33
MAPK9 P45984 1/20 0.33
CSNK1A1 P48729 1/20 0.33
GSK3B P49841 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
SLK Q9H2G2 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33

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
SCHEMBL9226327 0.79 IDO1 (0.39) HSD17B10MEN1HTTKMT2AAHR
SCHEMBL9226796 0.74 HSD17B10 (0.42) HSD17B10MEN1HTTKMT2AAHR
SCHEMBL10446005 0.73 HSD17B10 (0.39) HSD17B10MEN1HTTKMT2AAHR
SCHEMBL9339859 0.73 PSD (0.41) HSD17B10MEN1HTTKMT2APSD
SCHEMBL9228083 0.72 HSD17B10 (0.45) HSD17B10MEN1HTTKMT2APSD
SCHEMBL9226686 0.70 VCAM1 (0.38) HSD17B10MEN1HTTKMT2APSD
SCHEMBL9225055 0.70 MEN1 (0.54) HSD17B10MEN1HTTKMT2APSD
SCHEMBL9336163 0.69 HSD17B10 (0.43) HSD17B10MEN1HTTKMT2AAHR
SCHEMBL9015111 0.69 HSD17B10 (0.43) HSD17B10MEN1HTTKMT2AAHR
SCHEMBL9015099 0.69 PSD (0.47) HSD17B10MEN1HTTKMT2APSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487870-B1 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID CO (US) 1996-12-18 EP disclosed
US-5233052-A Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
US-5180734-A INSECTICIDAL AND ACARICIDAL DIARYLPYRROLECARBONITRILE AND DIARYLNITROPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1993-01-19 US disclosed
EP-0487870-A2 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1992-06-03 EP disclosed