SCHEMBL29123730

SCHEMBL29123730

NC(=O)OC(CO)Cc1nc(-c2cccc(Oc3ccc(OC(F)F)cn3)c2)no1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.42
▸ KCNH2 Q12809 1/20 0.38
▸ FFAR1 O14842 4/20 0.37
▸ MAPT P10636 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PSMB5 P28074 1/20 0.34
▸ IDH1 O75874 1/20 0.33

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
SCHEMBL29123726 1.00 LTA4H (0.42) LTA4HKCNH2FFAR1MAPTTHRB
SCHEMBL29123777 0.91 LTA4H (0.51) LTA4HKCNH2FFAR1MAPTSCN9A
SCHEMBL29123780 0.91 LTA4H (0.51) LTA4HKCNH2FFAR1MAPTSCN9A
SCHEMBL29123584 0.87 LTA4H (0.43) LTA4HKCNH2FFAR1MAPTTHRB
SCHEMBL29123582 0.87 LTA4H (0.43) LTA4HKCNH2FFAR1MAPTTHRB
SCHEMBL29123473 0.87 SCN9A (0.46) LTA4HFFAR1SCN9A
SCHEMBL29123469 0.87 SCN9A (0.46) LTA4HFFAR1SCN9A
SCHEMBL24665376 0.86 LTA4H (0.56) LTA4HKCNH2FFAR1MAPTTHRB
SCHEMBL29123411 0.86 LTA4H (0.56) LTA4HKCNH2FFAR1MAPTTHRB
SCHEMBL29123787 0.85 MAPT (0.38) LTA4HFFAR1MAPTTHRBSCN9A

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-117015537-A Heteroaryl aminopropanol derivatives as inhibitors of LTA4H 诺华股份有限公司 2023-11-07 — — CN disclosed
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