SCHEMBL29123582

SCHEMBL29123582

NC(=O)O[C@H](CO)Cc1nc(-c2cccc(Oc3ccc(Cl)cn3)c2)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ FFAR1 O14842 3/20 0.40
▸ SCN9A Q15858 3/20 0.40
▸ MAPT P10636 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ PPARG P37231 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KLKB1 P03952 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
SCHEMBL29123584 1.00 LTA4H (0.43) LTA4HKCNH2FFAR1SCN9AMAPT
SCHEMBL29123608 0.89 LTA4H (0.52) LTA4HKCNH2FFAR1SCN9AMAPT
SCHEMBL29123605 0.89 LTA4H (0.52) LTA4HKCNH2FFAR1SCN9AMAPT
SCHEMBL29123473 0.87 SCN9A (0.46) LTA4HFFAR1SCN9AFPR2MAPK1
SCHEMBL29123469 0.87 SCN9A (0.46) LTA4HFFAR1SCN9AFPR2MAPK1
SCHEMBL29123726 0.87 LTA4H (0.42) LTA4HKCNH2FFAR1SCN9AMAPT
SCHEMBL29123730 0.87 LTA4H (0.42) LTA4HKCNH2FFAR1SCN9AMAPT
SCHEMBL24665357 0.86 LTA4H (0.58) LTA4HKCNH2FFAR1MAPTSMN1; SMN2
SCHEMBL27204649 0.86 LTA4H (0.58) LTA4HKCNH2FFAR1MAPTSMN1; SMN2
SCHEMBL29123438 0.85 LTA4H (0.63) LTA4H

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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