SCHEMBL29123536

SCHEMBL29123536

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ SCN9A Q15858 8/20 0.41
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC5 Q9UQL6 3/20 0.40
▸ MAPT P10636 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SCN10A Q9Y5Y9 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
SCHEMBL24664167 1.00 MAPK1 (0.42) MAPK1SCN9AHDAC1HDAC6HDAC5
SCHEMBL30006191 0.91 SCN9A (0.47) SCN9AHDAC6MAPTLMNAFFAR1
SCHEMBL29123609 0.91 SCN9A (0.47) SCN9AHDAC6MAPTLMNAFFAR1
SCHEMBL29123537 0.90 MAPK1 (0.42) MAPK1SCN9AHDAC1HDAC6HDAC5
SCHEMBL24665367 0.89 LTA4H (0.38) MAPTFFAR1
SCHEMBL30006150 0.89 LTA4H (0.38) MAPTFFAR1
SCHEMBL24665373 0.89 LTA4H (0.38) SCN9AHDAC1HDAC6HDAC5MAPT
SCHEMBL30005383 0.89 LTA4H (0.38) SCN9AHDAC1HDAC6HDAC5MAPT
SCHEMBL24664168 0.86 SCN9A (0.43) MAPK1SCN9AHDAC1HDAC6HDAC5
SCHEMBL24665399 0.85 LTA4H (0.56) —

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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