SCHEMBL29686243

SCHEMBL29686243

N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.62
PLA2G7 Q13093 2/20 0.54
HSD17B10 Q99714 1/20 0.51
PDE7A Q13946 1/20 0.51
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.49
EYA2 O00167 1/20 0.49
SLC22A12 Q96S37 3/20 0.47
KDM4E B2RXH2 2/20 0.46
MERTK Q12866 1/20 0.45
AR P10275 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL3487806 1.00 VCAM1 (0.62) VCAM1PLA2G7HSD17B10PDE7ALMNA
SCHEMBL11088409 0.88 VCAM1 (0.60) VCAM1PLA2G7HSD17B10PDE7ALMNA
SCHEMBL11087491 0.86 VCAM1 (0.57) VCAM1PLA2G7PDE7ALMNAHTT
SCHEMBL2030779 0.84 VCAM1 (0.57) VCAM1PLA2G7PDE7ALMNAHTT
SCHEMBL11092797 0.83 VCAM1 (0.64) VCAM1PLA2G7HSD17B10PDE7ALMNA
SCHEMBL11094531 0.82 VCAM1 (0.62) VCAM1PLA2G7HSD17B10PDE7ALMNA
SCHEMBL11099698 0.82 VCAM1 (0.62) VCAM1PLA2G7HSD17B10PDE7ALMNA
SCHEMBL26926649 0.82 ESRRA (0.54) VCAM1PLA2G7LMNAHTTSMN1; SMN2
SCHEMBL30676036 0.82 ESRRA (0.54) VCAM1PLA2G7LMNAHTTSMN1; SMN2
SCHEMBL11087204 0.81 HSPB1 (0.66) VCAM1PLA2G7PDE7ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4243615-A1 NOVEL COMPOSITIONS FOR NEUTRALIZING TOXIC EFFECTS OF HYDROGEN PEROXIDE IN LIVING CELLS OR TISSUES Dzala LLC (GE) 2023-09-20 EP claimed
WO-2022101650-A1 NOVEL COMPOSITIONS FOR NEUTRALIZING TOXIC EFFECTS OF HYDROGEN PEROXIDE IN LIVING CELLS OR TISSUES DZALA LLC (GE) 2022-05-19 WO claimed
CN-120091810-A Methods and highly bioavailable permeable compounds for treating viral diseases 基里尔·迪丹克 2025-06-03 CN disclosed
WO-2023187599-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR THE TREATMENT OF VIRAL DISEASES DIDENKO KIRILL (MX) 2023-10-05 WO disclosed
EP-4243615-A1 NOVEL COMPOSITIONS FOR NEUTRALIZING TOXIC EFFECTS OF HYDROGEN PEROXIDE IN LIVING CELLS OR TISSUES Dzala LLC (GE) 2023-09-20 EP disclosed
WO-2022101650-A1 NOVEL COMPOSITIONS FOR NEUTRALIZING TOXIC EFFECTS OF HYDROGEN PEROXIDE IN LIVING CELLS OR TISSUES DZALA LLC (GE) 2022-05-19 WO disclosed