SCHEMBL29846651

SCHEMBL29846651

NC(=O)C1CC(CNC(=O)c2cccc(-c3ccccc3)n2)=NO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 3/20 0.45
▸ USP30 Q70CQ3 2/20 0.42
▸ KAT6A Q92794 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ CNR2 P34972 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CTSA P10619 2/20 0.39
▸ CFD P00746 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ CTSG P08311 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PSMB1 P20618 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ PSMB8 P28062 1/20 0.38
▸ PSMB9 P28065 1/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ PSMB10 P40306 1/20 0.38

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
SCHEMBL29846367 0.83 P2RX7 (0.50) HPGDALDH1A1CTSA
SCHEMBL29846491 0.81 KMT2A (0.48) HPGDALDH1A1
SCHEMBL29846396 0.77 P2RY12 (0.48) P2RY12USP30KAT6AHPGDCNR2
SCHEMBL29846549 0.77 NPC1 (0.51) —
SCHEMBL29846950 0.74 ALDH1A1 (0.49) HPGDALDH1A1CNR1
SCHEMBL29846630 0.74 CA1 (0.51) ALDH1A1CYP3A4
SCHEMBL8004243 0.73 P2RY12 (0.56) P2RY12KAT6AHPGDIRAK4CNR2
SCHEMBL29847201 0.73 NPC1 (0.51) ALDH1A1CYP3A4
SCHEMBL18377768 0.73 KAT6A (0.55) P2RY12USP30KAT6AHPGDIRAK4
SCHEMBL29846654 0.72 ITGB3 (0.31) —

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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