SCHEMBL30989848

SCHEMBL30989848

COc1ncc(Cl)cc1C(=O)N(C)Cc1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HSP90AA1 P07900 5/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ LIPE Q05469 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LTC4S Q16873 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL30989786 0.88 RXFP1 (0.45) MAPTRXFP1GPBAR1MEN1KMT2A
SCHEMBL30989930 0.84 HSP90AA1 (0.52) RXFP1HSP90AA1MEN1KMT2AALDH1A1
SCHEMBL30989909 0.82 CLK1 (0.48) HSP90AA1MEN1KMT2AALDH1A1MAPK1
SCHEMBL30989973 0.81 RIPK1 (0.44) MAPTRXFP1HSP90AA1GPBAR1MEN1
SCHEMBL30989967 0.81 RIPK1 (0.44) MAPTRXFP1HSP90AA1GPBAR1MEN1
SCHEMBL30989898 0.81 GPBAR1 (0.42) MAPTHSP90AA1GPBAR1LIPEMEN1
SCHEMBL30989921 0.80 RIPK1 (0.45) MAPTGPBAR1ALDH1A1
SCHEMBL30989886 0.79 CLK1 (0.44) HSP90AA1GPBAR1TACR1POLB
SCHEMBL30989813 0.77 CLK1 (0.43) HSP90AA1GPBAR1TACR1POLB
SCHEMBL25228040 0.75 GPBAR1 (0.43) GPBAR1LIPEMEN1KMT2AMAPK1

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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