SCHEMBL20028242

SCHEMBL20028242

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 1/20 0.52
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ KDM5B Q9UGL1 3/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ KLK1 P06870 1/20 0.37
▸ AURKA O14965 3/20 0.36
▸ F2 P00734 2/20 0.36
▸ F10 P00742 2/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ PRSS2 P07478 2/20 0.36
▸ PRSS3 P35030 2/20 0.36
▸ BTK Q06187 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PYGL P06737 1/20 0.36
▸ LMNA P02545 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
SCHEMBL20028239 0.84 DCAF1 (0.46) DCAF1CA12CA9CA1CA2
SCHEMBL20027902 0.83 DCAF1 (0.52) DCAF1CA12CA9CA1CA2
SCHEMBL20028623 0.83 DCAF1 (0.53) DCAF1KDM5BIRAK4KLKB1KLK1
SCHEMBL22896963 0.83 DCAF1 (0.53) DCAF1KDM5BIRAK4KLKB1KLK1
SCHEMBL20028241 0.81 DCAF1 (0.50) DCAF1CA12CA9CA1CA2
SCHEMBL20027914 0.80 DCAF1 (0.48) DCAF1CA12CA9CA1CA2
SCHEMBL22897243 0.79 DCAF1 (0.51) DCAF1CA12CA9CA1CA2
SCHEMBL20027718 0.79 DCAF1 (0.51) DCAF1CA12CA9CA1CA2
SCHEMBL22897214 0.78 DCAF1 (0.51) DCAF1KLKB1KLK1F2F10
SCHEMBL20028717 0.77 DCAF1 (0.50) DCAF1KLKB1KLK1F2F10

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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