SCHEMBL30989786

SCHEMBL30989786

COc1ncc(Cl)cc1C(=O)N(C)Cc1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ PTGER4 P35408 2/20 0.37
▸ RIPK1 Q13546 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ PTGER2 P43116 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
SCHEMBL30989848 0.88 MAPT (0.43) RXFP1MAPTMEN1KMT2AALDH1A1
SCHEMBL30989973 0.88 RIPK1 (0.44) RXFP1MAPTMEN1KMT2AALDH1A1
SCHEMBL30989967 0.88 RIPK1 (0.44) RXFP1MAPTMEN1KMT2AALDH1A1
SCHEMBL30989909 0.84 CLK1 (0.48) MEN1KMT2AALDH1A1MAPK1LMNA
SCHEMBL30989930 0.82 HSP90AA1 (0.52) RXFP1MEN1KMT2AALDH1A1
SCHEMBL30989921 0.82 RIPK1 (0.45) MAPTALDH1A1GPBAR1RIPK1PIK3C3
SCHEMBL30989886 0.81 CLK1 (0.44) GPBAR1POLBPTGER4RIPK1PIK3C3
SCHEMBL30989813 0.80 CLK1 (0.43) GPBAR1POLBPTGER4RIPK1PIK3C3
SCHEMBL30989898 0.79 GPBAR1 (0.42) MAPTMEN1KMT2AALDH1A1GPBAR1
SCHEMBL30989888 0.78 ROCK2 (0.53) MEN1KMT2AMAPK1POLBPTGER4

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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