SCHEMBL29123473

SCHEMBL29123473

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 14/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ FFAR1 O14842 1/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ FPR2 P25090 1/20 0.39

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
SCHEMBL29123469 1.00 SCN9A (0.46) SCN9AMAPK1FFAR1LTA4HGAA
SCHEMBL29123397 0.90 SCN9A (0.54) SCN9AFFAR1LTA4HFPR2
SCHEMBL29123393 0.90 SCN9A (0.54) SCN9AFFAR1LTA4HFPR2
SCHEMBL29123534 0.88 MAPK1 (0.44) SCN9AMAPK1FFAR1GAA
SCHEMBL29123584 0.87 LTA4H (0.43) SCN9AMAPK1FFAR1LTA4HFPR2
SCHEMBL29123582 0.87 LTA4H (0.43) SCN9AMAPK1FFAR1LTA4HFPR2
SCHEMBL29123726 0.87 LTA4H (0.42) SCN9AFFAR1LTA4H
SCHEMBL29123730 0.87 LTA4H (0.42) SCN9AFFAR1LTA4H
SCHEMBL24664170 0.86 LTA4H (0.54) SCN9AMAPK1FFAR1LTA4HGAA
SCHEMBL29123324 0.86 LTA4H (0.54) SCN9AMAPK1FFAR1LTA4HGAA

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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