SCHEMBL29123537

SCHEMBL29123537

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ SCN9A Q15858 4/20 0.42
▸ GAA P10253 1/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC5 Q9UQL6 3/20 0.41
▸ GRN P28799 2/20 0.41
▸ SORT1 Q99523 2/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL27171409 0.91 LMNA (0.46) SCN9AFFAR1GRNSORT1PTPN1
SCHEMBL27204662 0.91 LMNA (0.46) SCN9AFFAR1GRNSORT1PTPN1
SCHEMBL24664168 0.91 SCN9A (0.43) MAPK1SCN9AGAAFFAR1HDAC1
SCHEMBL29123536 0.90 MAPK1 (0.42) MAPK1SCN9AGAAFFAR1HDAC1
SCHEMBL24664167 0.90 MAPK1 (0.42) MAPK1SCN9AGAAFFAR1HDAC1
SCHEMBL29123472 0.89 GRN (0.42) MAPK1SCN9AFFAR1GRNSORT1
SCHEMBL27204693 0.89 GRN (0.42) SCN9AFFAR1GRNSORT1PTPN1
SCHEMBL27171436 0.89 GRN (0.42) SCN9AFFAR1GRNSORT1PTPN1
SCHEMBL29123526 0.89 PTPN1 (0.42) SCN9AFFAR1GRNSORT1PTPN1
SCHEMBL29123439 0.84 LTA4H (0.53) 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
Send feedback