SCHEMBL30989901

SCHEMBL30989901

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.46
▸ PIK3C3 Q8NEB9 3/20 0.43
▸ GPR6 P46095 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ NPC1 O15118 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ MAPK14 Q16539 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
SCHEMBL30989936 0.91 RIPK1 (0.47) RIPK1PIK3C3GPR6GAANPC1
SCHEMBL30989921 0.88 RIPK1 (0.45) RIPK1PIK3C3GPR6GAAKDM4E
SCHEMBL30989976 0.81 RIPK1 (0.46) RIPK1GPR6GAANPC1KDM4E
SCHEMBL30989882 0.80 MEN1 (0.48) RIPK1PIK3C3GAANPC1KDM4E
SCHEMBL30989942 0.79 RIPK1 (0.45) RIPK1PIK3C3GPR6GAAMEN1
SCHEMBL30989827 0.78 PIK3C3 (0.41) RIPK1PIK3C3GPR6GAANPC1
SCHEMBL30989925 0.77 RIPK1 (0.42) RIPK1GPR6L3MBTL1PTGER4
SCHEMBL30989755 0.76 GAA (0.48) PIK3C3GAAMEN1KMT2AMAPT
SCHEMBL30989781 0.76 RIPK1 (0.46) RIPK1PIK3C3GAANPC1ALDH1A1
SCHEMBL30989804 0.75 RIPK1 (0.45) RIPK1PIK3C3GPR6GAAKDM4E

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
Send feedback