SCHEMBL29123657

SCHEMBL29123657

CC(C)(C)C(O)C(Cc1nc(-c2cccc(Oc3ccc(Cl)cn3)c2)no1)OC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.39
▸ FFAR1 O14842 3/20 0.38
▸ MAPT P10636 5/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LTA4H P09960 2/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ THRB P10828 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL30731741 1.00 SCN9A (0.39) SCN9AFFAR1MAPTNPSR1SMN1; SMN2
SCHEMBL29123579 0.90 LTA4H (0.45) SCN9AFFAR1MAPTSMN1; SMN2LTA4H
SCHEMBL30731695 0.90 LTA4H (0.45) SCN9AFFAR1MAPTSMN1; SMN2LTA4H
SCHEMBL30731757 0.88 MAPT (0.38) SCN9AFFAR1MAPTSMN1; SMN2LTA4H
SCHEMBL29123787 0.88 MAPT (0.38) SCN9AFFAR1MAPTSMN1; SMN2LTA4H
SCHEMBL29123584 0.84 LTA4H (0.43) SCN9AFFAR1MAPTNPSR1SMN1; SMN2
SCHEMBL29123582 0.84 LTA4H (0.43) SCN9AFFAR1MAPTNPSR1SMN1; SMN2
SCHEMBL29123660 0.82 SCN9A (0.37) SCN9AFFAR1MAPTNPSR1SMN1; SMN2
SCHEMBL30731710 0.79 LTA4H (0.44) SCN9AMAPTSMN1; SMN2LTA4HFPR2
SCHEMBL29123425 0.79 LTA4H (0.44) SCN9AMAPTSMN1; SMN2LTA4HFPR2

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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