SCHEMBL30989943

SCHEMBL30989943

CC(c1ccccc1F)N(C)C(=O)c1cc(F)cnc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CES2 O00748 2/20 0.37
▸ CES1 P23141 2/20 0.37
▸ HDAC4 P56524 3/20 0.36
▸ TRPM8 Q7Z2W7 7/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ PLAT P00750 1/20 0.32
▸ RIPK1 Q13546 1/20 0.31

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
SCHEMBL30989919 0.85 PIK3C3 (0.38) MEN1KMT2ACES2CES1HDAC4
SCHEMBL30989878 0.85 PIK3C3 (0.38) MEN1KMT2ACES2CES1HDAC4
SCHEMBL30989872 0.83 MEN1 (0.36) MEN1KMT2ACES2CES1HDAC4
SCHEMBL30989874 0.83 MEN1 (0.36) MEN1KMT2ACES2CES1HDAC4
SCHEMBL30989928 0.73 PIK3C3 (0.44) CES2CES1TRPM8RIPK1
SCHEMBL30990011 0.73 PIK3C3 (0.44) CES2CES1TRPM8RIPK1
SCHEMBL25373799 0.71 CES2 (0.46) MEN1KMT2ACES2CES1KDM4E
SCHEMBL12244178 0.71 CES2 (0.42) MEN1KMT2ACES2CES1ALDH1A1
SCHEMBL30989876 0.70 RIPK1 (0.48) MEN1KMT2AALDH1A1NPC1RIPK1
SCHEMBL26763699 0.70 MC4R (0.42) MEN1KMT2ACES2CES1KDM4E

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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