SCHEMBL29044810

SCHEMBL29044810

NNc1nc(=O)[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.60
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 3/20 0.53
HPGD P15428 2/20 0.53
TSHR P16473 1/20 0.53
ADORA3 P0DMS8 5/20 0.48
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 1/20 0.44
PTGS1 P23219 1/20 0.44
OPRM1 P35372 1/20 0.44
KCNH2 Q12809 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NSD2 O96028 1/20 0.44

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
SCHEMBL31347645 0.79 APP (0.61) APPALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2395706 0.79 APP (0.61) APPALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3344881 0.79 APP (0.54) APPALDH1A1KDM4EHSD17B10HPGD
SCHEMBL11803092 0.79 APP (0.54) APPALDH1A1KDM4EHSD17B10HPGD
SCHEMBL29161478 0.78 APP (0.68) APPALDH1A1KDM4EHSD17B10HPGD
SCHEMBL1621890 0.78 APP (0.56) APPALDH1A1KDM4EHSD17B10HPGD
SCHEMBL13982514 0.76 APP (0.70) APPALDH1A1KDM4EHSD17B10HPGD
SCHEMBL12282183 0.76 APP (0.70) APPALDH1A1KDM4EHSD17B10HPGD
SCHEMBL12322087 0.76 APP (1.00) APPALDH1A1KDM4EHSD17B10HPGD
SCHEMBL196018 0.76 KDM4E (0.58) APPALDH1A1KDM4EHSD17B10HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535410-A Triazoloquinazolinone compound and application thereof 河北农业大学 2023-08-04 CN claimed
CN-116535410-B Triazoloquinazolinone compound and application thereof 河北农业大学 2025-03-21 CN disclosed
CN-116535410-A Triazoloquinazolinone compound and application thereof 河北农业大学 2023-08-04 CN disclosed