SCHEMBL28708372

SCHEMBL28708372

Cc1cc(Oc2cc(F)cc(F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 3/20 0.47
TSHR P16473 1/20 0.44
HSPB1 P04792 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
VEGFA P15692 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2531644 0.89 HSPB1 (0.57) MEN1KMT2AL3MBTL1POLBMAPT
SCHEMBL30970189 0.89 MAPT (0.52) MEN1KMT2AL3MBTL1POLBMAPT
SCHEMBL13548695 0.88 MAPT (0.52) MEN1KMT2AL3MBTL1POLBMAPT
SCHEMBL18345260 0.82 HSPB1 (0.46) MEN1KMT2AL3MBTL1POLBMAPT
SCHEMBL2538774 0.82 TSHR (0.52) MEN1KMT2AL3MBTL1POLBMAPT
SCHEMBL311393 0.81 MEN1 (0.60) MEN1KMT2AL3MBTL1POLBMAPT
SCHEMBL443483 0.81 HSD17B10 (0.52) MEN1KMT2AL3MBTL1POLBMAPT
SCHEMBL30072571 0.81 HSD17B10 (0.52) MEN1KMT2AL3MBTL1POLBMAPT
SCHEMBL6180876 0.81 MERTK (0.52) MEN1KMT2AL3MBTL1POLBMAPT
SCHEMBL30317903 0.81 ALDH1A1 (0.48) MEN1KMT2AL3MBTL1POLBMAPT

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-114072387-B Indazole compound, pharmaceutical composition and application thereof 暨南大学 2024-03-08 CN disclosed
CN-114072387-A Indazole compound and medicinal composition and application thereof 暨南大学 2022-02-18 CN disclosed