SCHEMBL21022151

SCHEMBL21022151

O=[N+]([O-])c1ccc(Cl)c(-c2ccc(F)cc2F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
HSPB1 P04792 3/20 0.48
TDP1 Q9NUW8 2/20 0.46
PTPRC P08575 1/20 0.46
S100A4 P26447 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HIF1A Q16665 1/20 0.45
VCAM1 P19320 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 1/20 0.42
RORC P51449 1/20 0.42

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
SCHEMBL28022386 0.79 PTPRC (0.50) HSD17B10HSPB1TDP1PTPRCS100A4
SCHEMBL4328683 0.78 HSD17B10 (0.47) HSD17B10PTPRCS100A4ALDH1A1HIF1A
SCHEMBL2590213 0.76 HSD17B10 (0.67) HSD17B10TDP1ALDH1A1HIF1AVCAM1
SCHEMBL30780972 0.76 HSD17B10 (0.67) HSD17B10TDP1ALDH1A1HIF1AVCAM1
SCHEMBL31118322 0.76 HSD17B10 (0.56) HSD17B10TDP1PTPRCS100A4ALDH1A1
SCHEMBL25392319 0.75 HSD17B10 (0.47) HSD17B10HSPB1TDP1PTPRCS100A4
Fluoride SCHEMBL29135029 0.74 HSD17B10 (0.64) HSD17B10TDP1ALDH1A1HIF1AVCAM1
SCHEMBL16013792 0.74 HSD17B10 (0.55) HSD17B10HSPB1PTPRCS100A4ALDH1A1
SCHEMBL19433252 0.74 TDP1 (0.45) HSPB1TDP1ATMALDH1A1HIF1A
SCHEMBL21819356 0.73 CYP19A1 (0.52) HSD17B10HSPB1TDP1PTPRCS100A4

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed