SCHEMBL30989973

SCHEMBL30989973

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.44
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NLRP3 Q96P20 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 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
SCHEMBL30989967 1.00 RIPK1 (0.44) RIPK1GPBAR1NPC1RAB9ANLRP3
SCHEMBL30989781 0.89 RIPK1 (0.46) RIPK1GPBAR1NPC1NLRP3MAPT
SCHEMBL30989822 0.89 RIPK1 (0.42) RIPK1NLRP3MAPTMEN1KMT2A
SCHEMBL30989786 0.88 RXFP1 (0.45) RIPK1GPBAR1MAPTMEN1KMT2A
SCHEMBL30989921 0.84 RIPK1 (0.45) RIPK1GPBAR1NLRP3MAPTGAA
SCHEMBL30989909 0.82 CLK1 (0.48) RIPK1MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL30989848 0.81 MAPT (0.43) GPBAR1MAPTMEN1KMT2ARXFP1
SCHEMBL30989882 0.80 MEN1 (0.48) RIPK1NPC1RAB9ANLRP3MAPT
SCHEMBL30989930 0.80 HSP90AA1 (0.52) MEN1KMT2ARXFP1GAAHSP90AA1
SCHEMBL30990047 0.80 MET (0.51) RIPK1MAPTLMNA

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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