SCHEMBL30989755

SCHEMBL30989755

COc1ncc(Cl)cc1C(=O)N(C)Cc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.48
▸ MAPT P10636 1/20 0.45
▸ GPBAR1 Q8TDU6 5/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SLC6A2 P23975 5/20 0.38
▸ SLC6A4 P31645 5/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HAO1 Q9UJM8 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.37

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
SCHEMBL30989921 0.88 RIPK1 (0.45) GAAMAPTGPBAR1SCN9AHAO1
SCHEMBL30989856 0.83 GPR6 (0.40) GAAGPBAR1HAO1PIK3C3
SCHEMBL30989909 0.79 CLK1 (0.48) MEN1KMT2A
SCHEMBL30989886 0.79 CLK1 (0.44) GAAGPBAR1PIK3C3
SCHEMBL30989967 0.78 RIPK1 (0.44) GAAMAPTGPBAR1MEN1KMT2A
SCHEMBL30989973 0.78 RIPK1 (0.44) GAAMAPTGPBAR1MEN1KMT2A
SCHEMBL30989936 0.78 RIPK1 (0.47) GAAMAPTGPBAR1MEN1KMT2A
SCHEMBL30989925 0.77 RIPK1 (0.42) SCN9AHAO1
SCHEMBL30989786 0.77 RXFP1 (0.45) MAPTGPBAR1MEN1KMT2AMCOLN3
SCHEMBL30989813 0.77 CLK1 (0.43) GPBAR1PIK3C3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612131-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2025-09-10 — — EP claimed
WO-2024095003-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2024-05-10 — — WO claimed
EP-4612131-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2025-09-10 — — EP disclosed
WO-2024095003-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2024-05-10 — — WO disclosed
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