Acipimox

Acipimox

SCHEMBL28986974

Cc1cnc(C(=O)O)c[n+]1[O-].[NaH]

nearest known ligand 0.96

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.96
P4HTM Q9NXG6 10/20 0.37
P4HA1 P13674 1/20 0.37
MIF P14174 1/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
ASPH Q12797 2/20 0.34
KDM8 Q8N371 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33

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
Acipimox SCHEMBL6057382 0.98 HCAR2 (1.00) HCAR2P4HTMP4HA1MIFKDM4E
Acipimox SCHEMBL48922 0.98 HCAR2 (1.00) HCAR2P4HTMP4HA1MIFKDM4E
Acipimox SCHEMBL29370131 0.98 HCAR2 (1.00) HCAR2P4HTMP4HA1MIFKDM4E
Acipimox SCHEMBL31290731 0.96 HCAR2 (0.96) HCAR2P4HTMP4HA1MIFKDM4E
Acipimox SCHEMBL28690337 0.96 HCAR2 (0.96) HCAR2P4HTMP4HA1MIFKDM4E
Acipimox SCHEMBL28681646 0.96 HCAR2 (0.96) HCAR2P4HTMP4HA1MIFKDM4E
Acipimox SCHEMBL28273592 0.96 HCAR2 (0.96) HCAR2P4HTMP4HA1MIFKDM4E
Acipimox SCHEMBL11743417 0.87 HCAR2 (0.79) HCAR2P4HTMP4HA1MIFKDM4E
Acipimox SCHEMBL28438037 0.86 HCAR2 (0.77) HCAR2P4HTMP4HA1MIFKDM4E
Acipimox SCHEMBL22409661 0.83 HCAR2 (0.72) HCAR2P4HTMKDM4EALDH1A1L3MBTL1

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
CN-115073384-B Acipimox crystal form and preparation method thereof 山东新时代药业有限公司 2023-03-24 CN disclosed
CN-115073384-A Acipimox crystal form and preparation method thereof 山东新时代药业有限公司 2022-09-20 CN disclosed