SCHEMBL30989876

SCHEMBL30989876

CN(Cc1cccc(F)c1F)C(=O)c1cc(F)cnc1O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 5/20 0.48
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ NLRP3 Q96P20 2/20 0.37
▸ MET P08581 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL30989781 0.85 RIPK1 (0.46) RIPK1MEN1KMT2AATMNLRP3
SCHEMBL30989870 0.82 RIPK1 (0.43) RIPK1MEN1KMT2AATMNLRP3
SCHEMBL30989882 0.75 MEN1 (0.48) RIPK1MEN1KMT2AATMHSP90AA1
SCHEMBL30989973 0.74 RIPK1 (0.44) RIPK1MEN1KMT2AATMHSP90AA1
SCHEMBL30989967 0.74 RIPK1 (0.44) RIPK1MEN1KMT2AATMHSP90AA1
SCHEMBL30989822 0.72 RIPK1 (0.42) RIPK1MEN1KMT2AATMHSP90AA1
SCHEMBL30989943 0.70 MEN1 (0.39) RIPK1MEN1KMT2AALDH1A1NPC1
SCHEMBL30989936 0.68 RIPK1 (0.47) RIPK1MEN1KMT2AALDH1A1MAOB
SCHEMBL22841128 0.65 RIPK1 (0.56) RIPK1MEN1KMT2AATMALDH1A1
SCHEMBL17882304 0.65 RIPK1 (1.00) RIPK1

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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