SCHEMBL19956827

SCHEMBL19956827

CCn1c(-c2cccc(Cl)c2)c2c(=O)n(C)[nH]c2cc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.48
NOX4 Q9NPH5 8/20 0.46
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CYBB P04839 1/20 0.41
NOX5 Q96PH1 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
TGFBR1 P36897 1/20 0.37

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
SCHEMBL1302503 0.86 NOX4 (0.40) PGRNOX4ALDH1A1APOBEC3GCYBB
SCHEMBL1302878 0.82 NOX4 (0.47) NOX4ALDH1A1KDM4ETSHRMEN1
SCHEMBL19956759 0.82 NOX4 (0.41) PGRNOX4MAPT
SCHEMBL1302859 0.80 PDE4B (0.48) NOX4ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL1302627 0.80 MAPT (0.43) NOX4ALDH1A1POLBKDM4EHSD17B10
SCHEMBL1303236 0.79 NOX4 (0.43) NOX4TSHRMEN1KMT2AMAPT
SCHEMBL1303049 0.79 PDE4B (0.46) NOX4ALDH1A1CYBBNOX5NOX1
SCHEMBL1303159 0.78 NOX4 (0.52) NOX4CYP1A2CYP2C9CYP3A4KMT2A
SCHEMBL2218229 0.75 NOX4 (0.49) PGRNOX4ALDH1A1CYP1A2CYP2C9
SCHEMBL2218729 0.74 NOX4 (0.42) NOX4ALDH1A1CYP1A2CYP2C9KDM4E

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-2860179-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-03-14 EP disclosed