SCHEMBL28287232

SCHEMBL28287232

O=C(O)c1cc(O)no1.O=C(O)c1cnc(C(F)F)cn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
ASPH Q12797 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM8 Q8N371 1/20 0.33
BACE1 P56817 6/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL28287252 0.82 HCAR2 (0.37) HCAR2KDM4EBACE1BACE2ALDH1A1
SCHEMBL28287231 0.82 BACE1 (0.31) BACE1BACE2
SCHEMBL990507 0.81 KDM4E (0.42) HCAR2ASPHKDM4EKDM8BACE1
SCHEMBL29447044 0.81 KDM4E (0.42) HCAR2ASPHKDM4EKDM8BACE1
SCHEMBL630565 0.75
SCHEMBL28115935 0.75 SIRT6 (0.47) HCAR2ASPHKDM4EKDM8BACE1
SCHEMBL19556530 0.74 HCAR2 (0.53) HCAR2KDM4EALDH1A1
SCHEMBL15352404 0.69 SIRT6 (0.52) ASPHKDM4EKDM8BACE1BACE2
SCHEMBL29447022 0.69 SIRT6 (0.52) ASPHKDM4EKDM8BACE1BACE2
2-Picolinic Acid SCHEMBL28871212 0.69 P4HTM (0.61) HCAR2KDM4EALDH1A1

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-109641854-A Integration stress access regulator 卡里科生命科学有限责任公司 2019-04-16 CN disclosed