SCHEMBL28753752

SCHEMBL28753752

COc1ccccc1Nc1ccc(OCCN2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.54
▸ DRD3 P35462 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KCNA5 P22460 1/20 0.46
▸ SYK P43405 2/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL11874817 0.82 LTA4H (0.68) LTA4HALDH1A1MAPTKCNA5SYK
SCHEMBL28228124 0.81 NPC1 (0.54) ALDH1A1MAPTMAPK1L3MBTL1HRH3
SCHEMBL11880128 0.79 LTA4H (0.56) LTA4HALDH1A1MAPTSYKHRH3
SCHEMBL3436048 0.78 POLB (0.55) LTA4HDRD3ALDH1A1MAPTADRA1A
SCHEMBL19462908 0.78 LTA4H (0.64) LTA4HDRD3ALDH1A1MAPTKCNA5
SCHEMBL21697458 0.76 KCNA5 (0.48) DRD3ALDH1A1MAPTKCNA5SYK
SCHEMBL9122265 0.75 LTA4H (0.77) LTA4HALDH1A1MAPTKCNA5MEN1
SCHEMBL211606 0.75 LTA4H (0.77) LTA4HALDH1A1MAPTKCNA5MEN1
SCHEMBL7445795 0.74 POLB (0.75) LTA4HALDH1A1SYKMEN1KMT2A
SCHEMBL13605386 0.74 MCHR1 (0.50) LTA4HDRD3SYKHRH3JAK2

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-108707151-B Pyrimido-pyridazinone compounds and uses thereof 阿萨纳生物科技有限责任公司 2022-06-03 — — CN claimed
CN-108707151-B Pyrimido-pyridazinone compounds and uses thereof 阿萨纳生物科技有限责任公司 2022-06-03 — — CN disclosed
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