SCHEMBL29123439

SCHEMBL29123439

CC(C)(C)OC(=O)NC(Cc1nc(-c2cccc(Oc3ccc(-c4ccn[nH]4)cn3)c2)no1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 19/20 0.53
▸ SCN9A Q15858 1/20 0.41

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
SCHEMBL24665389 0.91 LTA4H (0.49) LTA4HSCN9A
SCHEMBL30005335 0.91 LTA4H (0.49) LTA4HSCN9A
SCHEMBL30006042 0.91 LTA4H (0.56) LTA4H
SCHEMBL29123681 0.91 LTA4H (0.56) LTA4H
SCHEMBL24665399 0.91 LTA4H (0.56) LTA4H
SCHEMBL27204693 0.86 GRN (0.42) SCN9A
SCHEMBL27171436 0.86 GRN (0.42) SCN9A
SCHEMBL29123472 0.86 GRN (0.42) SCN9A
SCHEMBL29123537 0.84 MAPK1 (0.42) SCN9A
SCHEMBL29123526 0.84 PTPN1 (0.42) SCN9A

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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