SCHEMBL29846654

SCHEMBL29846654

NC(=O)C1CC(CNC(=O)c2cocn2)=NO1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.31
▸ ITGAV P06756 2/20 0.31
▸ F2R P25116 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ SRPK1 Q96SB4 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ MIF P14174 1/20 0.30

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
SCHEMBL29846876 0.79 SMN1; SMN2 (0.50) —
SCHEMBL29846491 0.79 KMT2A (0.48) —
SCHEMBL29846549 0.75 NPC1 (0.51) —
SCHEMBL29846367 0.75 P2RX7 (0.50) —
SCHEMBL29846844 0.74 F2R (0.33) F2RACACBSRPK1PIK3CD
SCHEMBL29846651 0.72 P2RY12 (0.45) —
SCHEMBL29846476 0.72 HDAC3 (0.39) ITGB3ITGAVNAMPT
SCHEMBL29846547 0.71 ADORA2A (0.41) PIK3CD
SCHEMBL14368133 0.70 ACACB (0.44) F2RACACBNAMPTPIK3CD
SCHEMBL29846393 0.70 POLB (0.50) —

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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