SCHEMBL30989882

SCHEMBL30989882

COc1ncc(F)cc1C(=O)N(C)Cc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ATM Q13315 1/20 0.48
▸ RIPK1 Q13546 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.38
▸ PARP15 Q460N3 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 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
SCHEMBL30989781 0.91 RIPK1 (0.46) MEN1KMT2AATMRIPK1NPC1
SCHEMBL30989936 0.88 RIPK1 (0.47) MEN1KMT2ARIPK1NPC1MAPT
SCHEMBL30989884 0.86 NPC1 (0.46) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL30989827 0.82 PIK3C3 (0.41) MEN1KMT2ARIPK1NPC1MAPT
SCHEMBL30989864 0.81 CLK1 (0.51) MEN1KMT2ARIPK1ALDH1A1GAA
SCHEMBL30989967 0.80 RIPK1 (0.44) MEN1KMT2AATMRIPK1NPC1
SCHEMBL30989973 0.80 RIPK1 (0.44) MEN1KMT2AATMRIPK1NPC1
SCHEMBL30989901 0.80 RIPK1 (0.46) MEN1KMT2ARIPK1NPC1MAPT
SCHEMBL30989870 0.79 RIPK1 (0.43) MEN1KMT2AATMRIPK1NPC1
SCHEMBL30990019 0.78 LMNA (0.57) MEN1KMT2AMAPTALDH1A1ROCK2

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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