SCHEMBL24629628

SCHEMBL24629628

COCC[C@@H](CN=[N+]=[N-])NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 13/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ ATM Q13315 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL14496989 0.89 SYK (0.39) CTSKCA1CA2CA7ATM
SCHEMBL14930580 0.89 SYK (0.39) CTSKCA1CA2CA7ATM
SCHEMBL25658173 0.87 CA1 (0.42) CTSKCA1CA2CA7ATM
SCHEMBL27696913 0.86 CTSK (0.43) CTSKCA1CA2CA7CTSS
SCHEMBL21480838 0.85 CA2 (0.35) CTSKCA1CA2CA7ATM
SCHEMBL27939686 0.85 CA2 (0.35) CTSKCA1CA2CA7ATM
SCHEMBL28969069 0.84 ATM (0.36) CTSKCA1CA2CA7ATM
SCHEMBL14027734 0.84 MEN1 (0.44) CTSKCA1CA2CA7ATM
SCHEMBL14220437 0.84 CYP2D6 (0.39) CTSKCA1CA2CA7ATM
SCHEMBL28969072 0.84 ATM (0.36) CTSKCA1CA2CA7ATM

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-2022150707-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, Inc. (US) 2022-07-14 — — WO disclosed
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