SCHEMBL29846768

SCHEMBL29846768

Cc1ncc(C(=O)NCC2=NOCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.42
▸ PSMB11 A5LHX3 4/20 0.35
▸ PSMA7 O14818 4/20 0.35
▸ PSMB1 P20618 4/20 0.35
▸ PSMA1 P25786 4/20 0.35
▸ PSMA2 P25787 4/20 0.35
▸ PSMA3 P25788 4/20 0.35
▸ PSMA4 P25789 4/20 0.35
▸ PSMB8 P28062 4/20 0.35
▸ PSMB9 P28065 4/20 0.35
▸ PSMA5 P28066 4/20 0.35
▸ PSMB4 P28070 4/20 0.35
▸ PSMB6 P28072 4/20 0.35
▸ PSMB5 P28074 4/20 0.35
▸ PSMB10 P40306 4/20 0.35
▸ PSMB3 P49720 4/20 0.35
▸ PSMB2 P49721 4/20 0.35
▸ PSMA6 P60900 4/20 0.35
▸ PSMA8 Q8TAA3 4/20 0.35
▸ PSMB7 Q99436 4/20 0.35

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
SCHEMBL29845971 0.76 ALDH1A1 (0.51) —
SCHEMBL29846471 0.74 HIF1A (0.47) HDAC6HDAC3SLC8A1
SCHEMBL3817565 0.71 CSNK2A2 (0.53) HCAR2HDAC6KLKB1PPARAHDAC3
SCHEMBL29846690 0.71 SMN1; SMN2 (0.55) —
SCHEMBL29846928 0.71 CYP1A2 (0.56) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL29846900 0.71 HCAR2 (0.39) HCAR2HDAC3
SCHEMBL9329923 0.70 HCAR2 (0.53) HCAR2SLC8A1
SCHEMBL5545082 0.70 HCAR2 (0.58) HCAR2SLC8A1
SCHEMBL29846880 0.70 SMN1; SMN2 (0.54) KLKB1
SCHEMBL29846514 0.70 ITGAV (0.39) HDAC6KLKB1

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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