SCHEMBL30989931

SCHEMBL30989931

COc1ncc(Cl)cc1C(=O)NCc1cc(F)cc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 3/20 0.55
▸ PTGER2 P43116 1/20 0.55
▸ MAPT P10636 2/20 0.49
▸ MET P08581 1/20 0.47
▸ ROCK2 O75116 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ PDE10A Q9Y233 2/20 0.45
▸ HCRTR1 O43613 2/20 0.44
▸ HCRTR2 O43614 2/20 0.44
▸ RIPK1 Q13546 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ RECQL P46063 1/20 0.40

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
SCHEMBL30990007 0.95 PTGER4 (0.53) PTGER4PTGER2MAPTMETROCK2
SCHEMBL30989952 0.89 TP53 (0.55) PTGER4PTGER2ROCK2ROCK1PDE10A
SCHEMBL30989948 0.89 TP53 (0.55) PTGER4PTGER2ROCK2ROCK1PDE10A
SCHEMBL30989843 0.84 PTGER4 (0.56) PTGER4PTGER2POLBTP53HSP90AA1
SCHEMBL30989895 0.81 KCNA5 (0.52) PTGER4PTGER2METROCK2ROCK1
SCHEMBL30989888 0.81 ROCK2 (0.53) PTGER4PTGER2METROCK2ROCK1
SCHEMBL30989879 0.80 LMNA (0.55) PTGER4PTGER2MAPTROCK2ROCK1
SCHEMBL30989984 0.79 PTGER4 (0.42) PTGER4PTGER2MAPT
SCHEMBL30990047 0.78 MET (0.51) PTGER4PTGER2MAPTMETROCK2
SCHEMBL25449962 0.77 ALDH1A1 (0.46) PTGER4PTGER2MAPTPOLB

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