SCHEMBL30989936

SCHEMBL30989936

COc1ncc(F)cc1C(=O)N(C)Cc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.47
▸ PIK3C3 Q8NEB9 3/20 0.45
▸ GAA P10253 1/20 0.41
▸ GPR6 P46095 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL30989901 0.91 RIPK1 (0.46) RIPK1PIK3C3GAAGPR6KDM4E
SCHEMBL30989921 0.90 RIPK1 (0.45) RIPK1PIK3C3GAAGPR6KDM4E
SCHEMBL30989882 0.88 MEN1 (0.48) RIPK1PIK3C3GAAKDM4EALDH1A1
SCHEMBL30989942 0.88 RIPK1 (0.45) RIPK1PIK3C3GAAGPR6L3MBTL1
SCHEMBL30989827 0.86 PIK3C3 (0.41) RIPK1PIK3C3GAAGPR6MAPT
SCHEMBL30989781 0.84 RIPK1 (0.46) RIPK1PIK3C3GAAALDH1A1MAPT
SCHEMBL30989900 0.82 PIK3C3 (0.38) RIPK1PIK3C3GAAGPR6MAPT
SCHEMBL30989864 0.81 CLK1 (0.51) RIPK1GAAALDH1A1MEN1KMT2A
SCHEMBL30989976 0.81 RIPK1 (0.46) RIPK1GAAGPR6KDM4EALDH1A1
SCHEMBL30989884 0.79 NPC1 (0.46) GAAGPR6KDM4EALDH1A1NPC1

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
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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