SCHEMBL25879677

SCHEMBL25879677

O=c1cc2nc3cc4c(=O)ccc(=O)c4cc3nc2cc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.36
NQO2 P16083 3/20 0.35
CYP2C19 P33261 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CCR8 P51685 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL1887304 0.73 CCR8 (0.43) PAX8CA1CA2KMT2AMAOA
SCHEMBL16532965 0.65 PAX8 (0.48) PAX8CA1CA2MAPTKMT2A
SCHEMBL13156558 0.59 NQO2 (0.62) NQO2MAPTKMT2AMEN1NPC1
SCHEMBL18068467 0.58
SCHEMBL25299764 0.57 PAX8 (0.33) PAX8
SCHEMBL12124147 0.57 MAPK13 (0.53) NQO2
SCHEMBL5157381 0.56 PIK3CG (0.58) NQO2MAPTKMT2AMEN1USP2
SCHEMBL31488766 0.55 CCR8 (0.39) PAX8KMT2ACCR8ALDH1A1
SCHEMBL31488767 0.55 CCR8 (0.39) PAX8KMT2ACCR8ALDH1A1
SCHEMBL13156487 0.55 NQO2 (0.88) NQO2MAPTKMT2AMEN1NPC1

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
US-20230238534-A1 ACTIVE MATERIAL FOR SECONDARY BATTERIES, ELECTRODE FOR SECONDARY BATTERIES, SECONDARY BATTERY AND FLIGHT VEHICLE NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2023-07-27 US disclosed
US-20230238534-A1 ACTIVE MATERIAL FOR SECONDARY BATTERIES, ELECTRODE FOR SECONDARY BATTERIES, SECONDARY BATTERY AND FLIGHT VEHICLE NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2023-07-27 US disclosed