SCHEMBL30989922

SCHEMBL30989922

COc1cccc(CN(C)C(=O)c2cc(Cl)cnc2OC(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ ROCK1 Q13464 5/20 0.48
▸ ROCK2 O75116 3/20 0.48
▸ HSD17B2 P37059 4/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ RIPK1 Q13546 1/20 0.43
▸ USP2 O75604 1/20 0.42

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
SCHEMBL30989812 0.95 MEP1B (0.44) POLBHPGDRECQLROCK1ROCK2
SCHEMBL30989861 0.90 RIPK1 (0.49) POLBHPGDRECQLROCK1ROCK2
SCHEMBL30989806 0.90 GRM5 (0.45) HPGDRECQLMEN1KMT2AALDH1A1
SCHEMBL30989923 0.88 ALDH1A1 (0.47) HPGDHSD17B2MEN1KMT2AALDH1A1
SCHEMBL30989857 0.88 HSP90AA1 (0.52) HSD17B2KMT2A
SCHEMBL30989807 0.85 TACR1 (0.47) HPGDLMNA
SCHEMBL30989865 0.85 PTGER4 (0.41) HSD17B2
SCHEMBL30989808 0.81 HTT (0.39) HPGDALDH1A1
SCHEMBL30989909 0.81 CLK1 (0.48) POLBHPGDRECQLROCK1ROCK2
SCHEMBL30989793 0.80 HTT (0.38) HPGDMEN1KMT2AALDH1A1

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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