SCHEMBL30989781

SCHEMBL30989781

COc1ncc(F)cc1C(=O)N(C)Cc1cccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.46
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL30989882 0.91 MEN1 (0.48) RIPK1MAPTNPC1KMT2AMEN1
SCHEMBL30989973 0.89 RIPK1 (0.44) RIPK1MAPTNPC1KMT2AMEN1
SCHEMBL30989967 0.89 RIPK1 (0.44) RIPK1MAPTNPC1KMT2AMEN1
SCHEMBL30989870 0.88 RIPK1 (0.43) RIPK1MAPTNPC1KMT2AMEN1
SCHEMBL30989876 0.85 RIPK1 (0.48) RIPK1NPC1KMT2AMEN1ATM
SCHEMBL30989936 0.84 RIPK1 (0.47) RIPK1MAPTNPC1KMT2AMEN1
SCHEMBL30989864 0.82 CLK1 (0.51) RIPK1KMT2AMEN1GAAALDH1A1
SCHEMBL30989884 0.82 NPC1 (0.46) NPC1KMT2AMEN1GAANLRP3
SCHEMBL30989827 0.80 PIK3C3 (0.41) RIPK1MAPTNPC1KMT2AMEN1
SCHEMBL30989944 0.79 MET (0.52) RIPK1MAPTKMT2AMEN1PDE4A

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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