SCHEMBL31436766

SCHEMBL31436766

O=c1nc(Cc2ccccc2)c2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.57
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
GAA P10253 2/20 0.54
HTT P42858 2/20 0.54
PARP1 P09874 1/20 0.49
AR P10275 1/20 0.49
KMT2A Q03164 2/20 0.47
ADORA3 P0DMS8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 1/20 0.44
ELANE P08246 1/20 0.44
LTB4R Q15722 1/20 0.44
MAT2A P31153 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL11333762 0.90 KDM4E (0.56) APPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31529985 0.88 ALDH1A1 (0.47) APPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31529984 0.83 MEN1 (0.62) APPALDH1A1KDM4EGAAPARP1
SCHEMBL16914813 0.79 KDM4E (0.53) APPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6191956 0.79 KDM4E (0.53) APPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7952836 0.79 KDM4E (0.53) APPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28337285 0.77 RAB9A (0.54) APPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL26611803 0.77 KDM4E (0.50) APPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4897061 0.76 ALDH1A1 (0.47) APPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11143051 0.75 KDM4E (0.49) APPALDH1A1KDM4EHPGDHSD17B10

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-119569661-A Preparation method of 2-acetylquinazoline-4 (3H) ketone compound 重庆医科大学 2025-03-07 CN disclosed