SCHEMBL30989888

SCHEMBL30989888

COc1ncc(Cl)cc1C(=O)NCc1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 6/20 0.53
▸ ROCK1 Q13464 6/20 0.53
▸ MAPK1 P28482 3/20 0.49
▸ PTGER4 P35408 2/20 0.48
▸ PTGER2 P43116 1/20 0.48
▸ MET P08581 2/20 0.47
▸ PDE10A Q9Y233 1/20 0.47
▸ RIPK1 Q13546 4/20 0.46
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL30990047 0.88 MET (0.51) ROCK2ROCK1PTGER4PTGER2MET
SCHEMBL30989879 0.87 LMNA (0.55) ROCK2ROCK1MAPK1PTGER4PTGER2
SCHEMBL30989948 0.84 TP53 (0.55) ROCK2ROCK1MAPK1PTGER4PTGER2
SCHEMBL30989952 0.84 TP53 (0.55) ROCK2ROCK1MAPK1PTGER4PTGER2
SCHEMBL30989843 0.82 PTGER4 (0.56) MAPK1PTGER4PTGER2POLBMEN1
SCHEMBL30989895 0.82 KCNA5 (0.52) ROCK2ROCK1PTGER4PTGER2MET
SCHEMBL30989931 0.81 PTGER4 (0.55) ROCK2ROCK1PTGER4PTGER2MET
SCHEMBL30990007 0.79 PTGER4 (0.53) ROCK2ROCK1PTGER4PTGER2MET
SCHEMBL30989786 0.78 RXFP1 (0.45) MAPK1PTGER4PTGER2RIPK1POLB
SCHEMBL30989984 0.77 PTGER4 (0.42) PTGER4PTGER2MEN1KMT2A

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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