SCHEMBL7900240

SCHEMBL7900240

[O-][n+]1cccc2c1ccc[n+]2[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.38
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
BCHE P06276 8/20 0.32
ACHE P22303 8/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
KDM4E B2RXH2 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
Quindoxin SCHEMBL29462546 0.87 ATM (0.43) HTTLMNAATMMAPTBCHE
Quindoxin SCHEMBL1323909 0.87 ATM (0.43) HTTLMNAATMMAPTBCHE
SCHEMBL9531 0.83 ATM (0.48) ATMBCHEACHE
Water SCHEMBL5786021 0.81 ATM (0.46) ATMBCHEACHE
Hydrochloric Acid SCHEMBL7370284 0.81 BCHE (0.50) BCHEACHE
SCHEMBL1295362 0.75 MAPT (0.35) HTTLMNAHSP90AA1MAPTKMT2A
SCHEMBL1261956 0.74 ALDH1A1 (0.48) HTTLMNAHSP90AA1MAPTKMT2A
SCHEMBL4437293 0.74 MAPT (0.42) HTTLMNAHSP90AA1MAPTKMT2A
SCHEMBL29364156 0.74 ALDH1A1 (0.41) HTTLMNAATMHSP90AA1MAPT
SCHEMBL30873742 0.74 MAPT (0.46) HTTLMNAHSP90AA1MAPTKMT2A

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-109350617-A Purposes of the compound in the drug of preparation treatment diabetes 孙凤兰 2019-02-19 CN disclosed
US-6197923-B1 N-OXIDATED POLYPYRIDINES, POLYPYRIMIDINES, POLYPYRAZINES, POLYPYRIDAZINES, POLYQUINOLINES, POLYQUINOXALINES, POLYQUINAZOLINES, AND POLYNAPHTHRYDINES; SEMICONDUCTORS; HEAT RESISTANCE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-06 US disclosed