SCHEMBL19956745

SCHEMBL19956745

CCOCCCn1c(C)c2c(=O)n(-c3cccc(NC)c3)[nH]c2cc1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 19/20 0.52
CYBB P04839 2/20 0.43
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36

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
SCHEMBL1302562 0.89 NOX4 (0.67) NOX4CYBBMEN1NPC1POLB
SCHEMBL1303470 0.87 NOX4 (0.63) NOX4CYBBCYP3A4NOX1
SCHEMBL8481410 0.87 NOX4 (0.53) NOX4CYBBKDM4EMEN1NPC1
SCHEMBL1302115 0.84 NOX4 (0.66) NOX4CYBBKDM4EMEN1NPC1
SCHEMBL1302062 0.78 NOX4 (0.63) NOX4CYBBCYP3A4NOX1
SCHEMBL1302200 0.78 NOX4 (0.74) NOX4CYBBCYP3A4NOX1
SCHEMBL1303426 0.77 NOX4 (0.70) NOX4CYBBKDM4EMEN1NPC1
SCHEMBL17171582 0.74 NOX4 (0.48) NOX4CYBBKDM4EMEN1NPC1
SCHEMBL1303897 0.73 NOX4 (0.52) NOX4CYBBCYP3A4NOX1
SCHEMBL1302585 0.73 NOX4 (0.70) NOX4CYBBMEN1MAPTKMT2A

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