SCHEMBL30989976

SCHEMBL30989976

COc1nc(C)ccc1C(=O)N(C)Cc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ GPR6 P46095 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL30989901 0.81 RIPK1 (0.46) RIPK1NPC1GPR6KDM4EALDH1A1
SCHEMBL30989936 0.81 RIPK1 (0.47) RIPK1NPC1GPR6KDM4EALDH1A1
SCHEMBL30989921 0.78 RIPK1 (0.45) RIPK1GPR6KDM4EALDH1A1L3MBTL1
SCHEMBL30989804 0.76 RIPK1 (0.45) RIPK1GPR6KDM4EALDH1A1L3MBTL1
SCHEMBL5643407 0.71 RIPK1 (0.56) RIPK1ALDH1A1MEN1KMT2ATAS2R14
SCHEMBL30989942 0.71 RIPK1 (0.45) RIPK1GPR6MEN1KMT2AL3MBTL1
SCHEMBL5647030 0.70 KMT2A (0.58) RIPK1MEN1KMT2A
SCHEMBL30989827 0.70 PIK3C3 (0.41) RIPK1NPC1GPR6MEN1KMT2A
SCHEMBL30989882 0.69 MEN1 (0.48) RIPK1NPC1KDM4EALDH1A1MEN1
SCHEMBL30989925 0.69 RIPK1 (0.42) RIPK1GPR6L3MBTL1

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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