SCHEMBL20028239

SCHEMBL20028239

C=CC[C@H](NC(=O)c1cn(C)nc1-c1ccccc1)C(O)C#N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 1/20 0.46
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ KDM5B Q9UGL1 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ AURKA O14965 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ KLK1 P06870 1/20 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
SCHEMBL20027722 0.85 DCAF1 (0.48) DCAF1CTSVCTSLCTSSCTSK
SCHEMBL20028242 0.84 DCAF1 (0.52) DCAF1KDM5BALDH1A1CA12CA1
SCHEMBL20028241 0.80 DCAF1 (0.50) DCAF1CTSVCTSLCTSSCTSK
SCHEMBL22896963 0.78 DCAF1 (0.53) DCAF1KDM5BALDH1A1IRAK4KLKB1
SCHEMBL20028623 0.78 DCAF1 (0.53) DCAF1KDM5BALDH1A1IRAK4KLKB1
SCHEMBL20028240 0.75 DCAF1 (0.46) DCAF1CTSVCTSLCTSSCTSK
SCHEMBL22897243 0.74 DCAF1 (0.51) DCAF1CTSVCTSLCTSSCTSK
SCHEMBL20027718 0.74 DCAF1 (0.51) DCAF1CTSVCTSLCTSSCTSK
SCHEMBL20027723 0.71 PYGL (0.52) DCAF1CTSVCTSLCTSSCTSK
SCHEMBL20027902 0.70 DCAF1 (0.52) DCAF1KDM5BALDH1A1CA12CA1

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-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 — — WO disclosed
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