SCHEMBL29123324

SCHEMBL29123324

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.54
▸ SCN9A Q15858 10/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ CDK2 P24941 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GAA P10253 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
SCHEMBL24664170 1.00 LTA4H (0.54) LTA4HSCN9AKCNH2MAPK1CDK2
SCHEMBL30006916 0.89 MAPK1 (0.51) LTA4HSCN9AMAPK1CDK2AKT1
SCHEMBL27204647 0.89 LTA4H (0.67) LTA4HSCN9AKCNH2CDK2AKT1
SCHEMBL27171402 0.89 LTA4H (0.67) LTA4HSCN9AKCNH2CDK2AKT1
SCHEMBL29123473 0.86 SCN9A (0.46) LTA4HSCN9AMAPK1FFAR1GAA
SCHEMBL29123469 0.86 SCN9A (0.46) LTA4HSCN9AMAPK1FFAR1GAA
SCHEMBL24665357 0.86 LTA4H (0.58) LTA4HKCNH2MAPK1FFAR1MAPT
SCHEMBL27204649 0.86 LTA4H (0.58) LTA4HKCNH2MAPK1FFAR1MAPT
SCHEMBL24665376 0.85 LTA4H (0.56) LTA4HSCN9AKCNH2MAPK1CDK2
SCHEMBL29123411 0.85 LTA4H (0.56) LTA4HSCN9AKCNH2MAPK1CDK2

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 2 patents. 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 claimed
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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