SCHEMBL24684261

SCHEMBL24684261

COc1cc(C#N)ccc1Oc1ncc(C2CCOCC2)cc1C(=O)Nc1cccc(S(C)(=N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 2/20 0.42
MALT1 Q9UDY8 1/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
GPR6 P46095 1/20 0.38

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
SCHEMBL29804499 1.00 ALDH1A1 (0.43) ALDH1A1ATMLMNAMALT1SCN10A
SCHEMBL29109937 0.94 LMNA (0.45) ALDH1A1ATMLMNASCN10ARXFP1
SCHEMBL29804143 0.86 MAPT (0.44) ALDH1A1ATMMALT1SCN10ARXFP1
SCHEMBL24684269 0.86 MAPT (0.44) ALDH1A1ATMMALT1SCN10ARXFP1
SCHEMBL29804425 0.84 ALDH1A1 (0.49) ALDH1A1ATMLMNASCN10ARXFP1
SCHEMBL24682627 0.84 ALDH1A1 (0.49) ALDH1A1ATMLMNASCN10ARXFP1
SCHEMBL24682671 0.82 PIK3CD (0.45) ALDH1A1ATMLMNASCN10ASCN8A
SCHEMBL29804274 0.82 PIK3CD (0.45) ALDH1A1ATMLMNASCN10ASCN8A
SCHEMBL24682598 0.82 LRRK2 (0.46) ALDH1A1ATMLMNASCN10A
SCHEMBL29804309 0.82 LRRK2 (0.46) ALDH1A1ATMLMNASCN10A

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
WO-2022192487-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2022-09-15 WO disclosed