SCHEMBL29123780

SCHEMBL29123780

NC(=O)OC(CO)Cc1nc(-c2ccc(Oc3ccc(OC(F)F)cn3)cc2)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.51
▸ KCNH2 Q12809 1/20 0.44
▸ SCN9A Q15858 6/20 0.39
▸ ACACB O00763 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ LMNA P02545 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ PSMB5 P28074 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL29123777 1.00 LTA4H (0.51) LTA4HKCNH2SCN9AACACBMAPT
SCHEMBL29123730 0.91 LTA4H (0.42) LTA4HKCNH2SCN9AMAPTTP53
SCHEMBL29123726 0.91 LTA4H (0.42) LTA4HKCNH2SCN9AMAPTTP53
SCHEMBL29123608 0.87 LTA4H (0.52) LTA4HKCNH2SCN9AMAPTMITF
SCHEMBL29123605 0.87 LTA4H (0.52) LTA4HKCNH2SCN9AMAPTMITF
SCHEMBL29123393 0.87 SCN9A (0.54) LTA4HKCNH2SCN9ALMNAFFAR1
SCHEMBL29123397 0.87 SCN9A (0.54) LTA4HKCNH2SCN9ALMNAFFAR1
SCHEMBL27171420 0.85 LTA4H (0.68) LTA4HKCNH2SCN9AACACBMAPT
SCHEMBL27204783 0.85 LTA4H (0.68) LTA4HKCNH2SCN9AACACBMAPT
SCHEMBL30731710 0.84 LTA4H (0.44) LTA4HKCNH2SCN9AACACBMAPT

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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