SCHEMBL9755024

SCHEMBL9755024

Nc1cc2c(cc1Cl)-c1ccc([N+](=O)[O-])cc1C2=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.62
S100A4 P26447 2/20 0.62
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
CES1 P23141 1/20 0.55
HSD17B10 Q99714 2/20 0.54
CYP1A2 P05177 1/20 0.54
HIF1A Q16665 1/20 0.54
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 4/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 2/20 0.45
HSP90AA1 P07900 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
NCOA1 Q15788 1/20 0.43

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
SCHEMBL8104719 0.82 PTPRC (0.84) PTPRCS100A4BCHEACHECES1
SCHEMBL30375977 0.82 PTPRC (0.84) PTPRCS100A4BCHEACHECES1
SCHEMBL1237207 0.82 PTPRC (0.91) PTPRCS100A4BCHEACHECES1
SCHEMBL30349970 0.82 PTPRC (0.91) PTPRCS100A4BCHEACHECES1
SCHEMBL9184261 0.80 PTPRC (0.68) PTPRCS100A4BCHEACHECES1
SCHEMBL8091665 0.78 PTPRC (0.78) PTPRCS100A4BCHEACHECES1
SCHEMBL11207794 0.78 PTPRC (0.83) PTPRCS100A4BCHEACHECES1
SCHEMBL2772220 0.78 PTPRC (0.83) PTPRCS100A4BCHEACHECES1
SCHEMBL2599382 0.78 PTPRC (1.00) PTPRCS100A4BCHEACHECES1
SCHEMBL29559206 0.78 PTPRC (1.00) PTPRCS100A4BCHEACHECES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991005605-A1 CYCLODEXTRIN LABELS FOR IMMUNOASSAY AND BIOCHEMICAL ANALYSIS KOSAK KENNETH M (US) 1991-05-02 WO disclosed
WO-1991002040-A1 CYCLODEXTRIN LABELS FOR NUCLEIC ACID AND BIOCHEMICAL ANALYSIS KOSAK KENNETH M (US) 1991-02-21 WO disclosed