SCHEMBL30989812

SCHEMBL30989812

CN(Cc1cccc(OC(F)F)c1)C(=O)c1cc(Cl)cnc1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ RIPK1 Q13546 2/20 0.41
▸ HSD17B2 P37059 3/20 0.40
▸ HSP90AA1 P07900 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ GRM5 P41594 1/20 0.38

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
SCHEMBL30989922 0.95 POLB (0.49) POLBHPGDRECQLROCK1ROCK2
SCHEMBL30989861 0.93 RIPK1 (0.49) HTTPOLBHPGDRECQLROCK1
SCHEMBL30989806 0.93 GRM5 (0.45) HTTHPGDRECQLRIPK1HSP90AA1
SCHEMBL30989857 0.91 HSP90AA1 (0.52) HTTHSD17B2HSP90AA1KMT2AGRM5
SCHEMBL30989923 0.91 ALDH1A1 (0.47) HTTHPGDRIPK1HSD17B2HSP90AA1
SCHEMBL30989807 0.88 TACR1 (0.47) HPGDLMNA
SCHEMBL30989865 0.87 PTGER4 (0.41) MEP1BHTTHSD17B2HSP90AA1GRM5
SCHEMBL30989808 0.84 HTT (0.39) HTTHPGDHSP90AA1ALDH1A1GRM5
SCHEMBL30989793 0.82 HTT (0.38) HTTHPGDHSP90AA1KMT2AMEN1
SCHEMBL30989822 0.82 RIPK1 (0.42) HTTPOLBRIPK1HSP90AA1KMT2A

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 4 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 claimed
WO-2024095003-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2024-05-10 — — WO claimed
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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