SCHEMBL28477789

SCHEMBL28477789

O=c1c(I)coc2c([N+](=O)[O-])cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.47
▸ GPR35 Q9HC97 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ PARP1 P09874 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ CSNK2A3 Q8NEV1 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ S100A4 P26447 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ DNA2 P51530 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29952203 0.79 PTPN1 (0.55) TDP1GPR35ALDH1A1POLBMAOA
SCHEMBL7251833 0.76 TDP1 (0.52) TDP1GPR35ALDH1A1PARP1GAA
SCHEMBL3274689 0.76 TDP1 (0.52) TDP1GPR35ALDH1A1PARP1GAA
SCHEMBL28577211 0.73 TTR (0.41) POLBMAOAKMT2AMEN1
SCHEMBL28567067 0.73 CES1 (0.42) TDP1ALDH1A1POLBMAPTKMT2A
SCHEMBL31290996 0.72 GPR35 (0.52) TDP1GPR35ALDH1A1PARP1GAA
SCHEMBL3385902 0.70 MAOA (0.57) TDP1GPR35ALDH1A1CSNK2A2CSNK2B
SCHEMBL28569270 0.69 POLB (0.62) ALDH1A1GAAPOLBMAPTKMT2A
SCHEMBL31037935 0.69 POLB (0.62) ALDH1A1GAAPOLBMAPTKMT2A
SCHEMBL6581379 0.69 KMT2A (0.60) TDP1GPR35ALDH1A1POLBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255735-A Preparation method of cyclopenta [ b ] chromone compound 遵义医科大学 2024-06-28 — — CN disclosed
CN-113149948-B Preparation method and application of 3-methylene cyclopentano [ b ] chromone compound 遵义医科大学 2022-07-08 — — CN disclosed
CN-111732567-B Chromone framework-containing polycyclic compound, and preparation method and application thereof 遵义医科大学 2022-07-08 — — CN disclosed
CN-113149948-A Preparation method and application of 3-methylene cyclopentano [ b ] chromone compound 遵义医科大学 2021-07-23 — — CN disclosed
CN-111732567-A Chromone framework-containing polycyclic compound, and preparation method and application thereof 遵义医科大学 2020-10-02 — — CN disclosed
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