SCHEMBL31529985

SCHEMBL31529985

Nc1ccc(Cc2nc(=O)[nH]c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GAA P10253 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTR6 P50406 1/20 0.47
APP P05067 4/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
LTB4R Q15722 1/20 0.40
ELANE P08246 1/20 0.39
STAT3 P40763 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PRNP P04156 1/20 0.39
PARP1 P09874 2/20 0.39

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
SCHEMBL31436766 0.88 APP (0.57) ALDH1A1GAANPC1RAB9AAPP
SCHEMBL11333762 0.84 KDM4E (0.56) ALDH1A1GAARAB9AAPPKDM4E
SCHEMBL31529984 0.81 MEN1 (0.62) ALDH1A1GAANPC1RAB9AAPP
SCHEMBL16914813 0.74 KDM4E (0.53) ALDH1A1GAARAB9AAPPKDM4E
SCHEMBL6191956 0.74 KDM4E (0.53) ALDH1A1GAARAB9AAPPKDM4E
SCHEMBL29844822 0.72 KDM4E (0.58) ALDH1A1GAAAPPKDM4EHPGD
SCHEMBL196018 0.72 KDM4E (0.58) ALDH1A1GAAAPPKDM4EHPGD
SCHEMBL28337285 0.72 RAB9A (0.54) ALDH1A1GAANPC1RAB9AAPP
SCHEMBL26611803 0.72 KDM4E (0.50) ALDH1A1GAARAB9AAPPKDM4E
SCHEMBL11803092 0.72 APP (0.54) ALDH1A1APPKDM4EHPGDHSD17B10

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
CN-119841781-A Quinazolinone-triazene compound, and preparation method and application thereof 青岛科技大学 2025-04-18 CN claimed
CN-119841781-A Quinazolinone-triazene compound, and preparation method and application thereof 青岛科技大学 2025-04-18 CN disclosed