SCHEMBL30047738

SCHEMBL30047738

COc1cc2c(c(C#N)n1)CC(C=O)C2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ USP8 P40818 4/20 0.34
▸ USP7 Q93009 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 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
SCHEMBL23857539 1.00 USP8 (0.34) USP8USP7RECQLKDM4EALDH1A1
SCHEMBL23856825 0.80 CHEK1 (0.30) —
SCHEMBL30047126 0.80 CHEK1 (0.30) —
SCHEMBL30048454 0.77 RECQL (0.33) RECQLKDM4EALDH1A1HPGD
SCHEMBL23857222 0.77 RECQL (0.33) RECQLKDM4EALDH1A1HPGD
SCHEMBL23856482 0.75 — —
SCHEMBL30047585 0.74 CA12 (0.36) KDM4E
SCHEMBL23871569 0.74 CA12 (0.36) KDM4E
SCHEMBL23856822 0.73 — —
SCHEMBL30048678 0.72 JAK3 (0.32) —

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
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 — — CN disclosed
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