SCHEMBL28686145

SCHEMBL28686145

O=[N+]([O-])c1ccc2c(c1)c(I)nn2C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
CYP1A2 P05177 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
CNR2 P34972 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
ACHE P22303 1/20 0.35

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
SCHEMBL29643977 1.00 SIRT2 (0.40) SIRT2CYP1A2HPGDMAPTALDH1A1
SCHEMBL4048725 0.91 CYP1A2 (0.39) SIRT2CYP1A2HPGDMAPTALDH1A1
SCHEMBL31475214 0.91 CYP1A2 (0.39) SIRT2CYP1A2HPGDMAPTALDH1A1
SCHEMBL21198132 0.87 CYP1A2 (0.44) SIRT2CYP1A2HPGDMAPTALDH1A1
SCHEMBL29672454 0.86 MAPT (0.40) SIRT2CYP1A2HPGDMAPTALDH1A1
SCHEMBL31482836 0.86 CYP1A2 (0.39) SIRT2CYP1A2HPGDMAPTALDH1A1
SCHEMBL27338781 0.86 MAPT (0.40) SIRT2CYP1A2HPGDMAPTALDH1A1
SCHEMBL16308649 0.86 MAPT (0.40) SIRT2CYP1A2HPGDMAPTALDH1A1
SCHEMBL5375050 0.86 CYP1A2 (0.39) SIRT2CYP1A2HPGDMAPTALDH1A1
SCHEMBL12821556 0.84 CYP1A2 (0.38) SIRT2CYP1A2HPGDMAPTALDH1A1

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