SCHEMBL30989968

SCHEMBL30989968

C[C@H](c1cccc(F)c1)N(C)C(=O)c1cc(F)cnc1OC(F)F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.34
▸ PTGER4 P35408 2/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ PLAT P00750 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ MAP3K5 Q99683 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ AOC3 Q16853 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32

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
SCHEMBL30989829 1.00 HPGD (0.34) HPGDPTGER4EGLN1AURKARPS6KB1
SCHEMBL30989772 0.91 PTGER4 (0.43) PTGER4MAPK1PTGER2
SCHEMBL30989873 0.89 MAPK1 (0.41) PTGER4EGLN1AURKARPS6KB1MAPK1
SCHEMBL30990044 0.89 MAPK1 (0.41) PTGER4EGLN1AURKARPS6KB1MAPK1
SCHEMBL30989872 0.83 MEN1 (0.36) PTGER4MAPK1MEN1KMT2AHDAC4
SCHEMBL30989874 0.83 MEN1 (0.36) PTGER4MAPK1MEN1KMT2AHDAC4
SCHEMBL30989972 0.78 ALDH1A1 (0.49) HPGDMEN1KMT2A
SCHEMBL30989770 0.77 TRPV4 (0.36) AOC3
SCHEMBL30989752 0.77 TRPV4 (0.36) AOC3
SCHEMBL30843173 0.69 OPRK1 (0.43) HPGDPTGER4MEN1KMT2AMAP3K5

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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