SCHEMBL30989921

SCHEMBL30989921

COc1ncc(Cl)cc1C(=O)N(C)Cc1ccc(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.45
▸ PIK3C3 Q8NEB9 2/20 0.43
▸ HAO1 Q9UJM8 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ GPR6 P46095 1/20 0.39
▸ PTGER1 P34995 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SCN9A Q15858 2/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN4A P35499 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.37
▸ SCN10A Q9Y5Y9 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
SCHEMBL30989936 0.90 RIPK1 (0.47) RIPK1PIK3C3GAAGPBAR1GPR6
SCHEMBL30989925 0.89 RIPK1 (0.42) RIPK1HAO1GPR6PTGER1NLRP3
SCHEMBL30989901 0.88 RIPK1 (0.46) RIPK1PIK3C3GAAGPR6KDM4E
SCHEMBL30989755 0.88 GAA (0.48) PIK3C3HAO1GAAGPBAR1SCN9A
SCHEMBL30989856 0.87 GPR6 (0.40) PIK3C3HAO1GAAGPBAR1GPR6
SCHEMBL30989973 0.84 RIPK1 (0.44) RIPK1GAAGPBAR1NLRP3ALDH1A1
SCHEMBL30989967 0.84 RIPK1 (0.44) RIPK1GAAGPBAR1NLRP3ALDH1A1
SCHEMBL30989909 0.83 CLK1 (0.48) RIPK1ALDH1A1
SCHEMBL30989786 0.82 RXFP1 (0.45) RIPK1PIK3C3GPBAR1ALDH1A1MAPT
SCHEMBL30989886 0.82 CLK1 (0.44) RIPK1PIK3C3GAAGPBAR1

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
Send feedback