SCHEMBL31448360

SCHEMBL31448360

Cn1c(=O)c(-c2ccc(F)cc2)nc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.77
KDM4E B2RXH2 3/20 0.77
HPGD P15428 2/20 0.77
GAA P10253 1/20 0.77
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
MAPT P10636 4/20 0.59
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP1A2 P05177 7/20 0.56
HSD17B10 Q99714 7/20 0.56
CYP3A4 P08684 3/20 0.56
PKM P14618 1/20 0.55
USP2 O75604 2/20 0.54
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53

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
SCHEMBL30139977 0.88 KDM4E (0.82) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL28516529 0.88 KDM4E (0.82) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL14006985 0.87 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL28950136 0.85 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL30139985 0.85 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL28521669 0.85 KDM4E (0.77) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL31448356 0.84 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL28515712 0.83 KDM4E (0.69) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL31448403 0.82 KDM4E (0.73) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL30139981 0.82 KDM4E (0.73) ALDH1A1KDM4EHPGDGAAMEN1

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
CN-119913525-A Electrochemical synthesis method of 3-aryl quinoxalinone compound 新疆大学 2025-05-02 CN disclosed