SCHEMBL29846476

SCHEMBL29846476

NC(=O)C1CC(CNC(=O)c2ccnnc2)=NO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ PREP P48147 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.36
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ SIRT3 Q9NTG7 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGAV P06756 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL29846393 0.76 POLB (0.50) MEN1KMT2AHPGDKDM4E
SCHEMBL29846876 0.76 SMN1; SMN2 (0.50) MEN1KMT2AHPGDKDM4E
SCHEMBL29846491 0.76 KMT2A (0.48) MEN1KMT2AHPGDHSD17B10KDM4E
SCHEMBL29846900 0.74 HCAR2 (0.39) HDAC3HDAC1PREPHCAR2MEN1
SCHEMBL29846547 0.73 ADORA2A (0.41) KMT2A
SCHEMBL29847201 0.73 NPC1 (0.51) MEN1KMT2ATSHR
SCHEMBL29846549 0.72 NPC1 (0.51) HDAC3HDAC1KDM4E
SCHEMBL29846654 0.72 ITGB3 (0.31) NAMPTITGB3ITGAV
SCHEMBL29846367 0.71 P2RX7 (0.50) MEN1KMT2AHPGD
SCHEMBL29846950 0.71 ALDH1A1 (0.49) HDAC3HDAC1HPGDITGB3ITGAV

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 — — WO disclosed
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