SCHEMBL29846458

SCHEMBL29846458

NC(=O)C1=NOC(C(N)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ GRK2 P25098 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ MIF P14174 4/20 0.33
▸ GABRR1 P24046 1/20 0.31
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL31308703 0.86 LMNA (0.38) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL31308751 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL14083176 0.75 — —
SCHEMBL30899554 0.75 — —
SCHEMBL3989205 0.68 CA1 (0.69) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL2674041 0.67 POLB (0.53) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL24831446 0.66 POLB (0.55) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL3983301 0.66 MEN1 (0.60) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL3983985 0.66 POLB (0.55) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL29846518 0.64 KDM4E (0.39) PDE4APDE4BPDE4CPDE4DRAB9A

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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