SCHEMBL20027902

SCHEMBL20027902

Cn1cc(C(=O)NC(CC(F)(F)F)C(O)C(N)=O)c(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 1/20 0.52
▸ F2 P00734 2/20 0.41
▸ F10 P00742 2/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ PLA2G7 Q13093 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ ABHD6 Q9BV23 1/20 0.38
▸ NTRK1 P04629 3/20 0.38
▸ KDM5B Q9UGL1 2/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ KLK1 P06870 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL20028242 0.83 DCAF1 (0.52) DCAF1F2F10PRSS1PRSS2
SCHEMBL21854144 0.83 DCAF1 (0.53) DCAF1F2F10PRSS1PRSS2
SCHEMBL20027914 0.82 DCAF1 (0.48) DCAF1CA12CA9CA1CA2
SCHEMBL20028717 0.79 DCAF1 (0.50) DCAF1F2F10PRSS1PRSS2
SCHEMBL20027718 0.79 DCAF1 (0.51) DCAF1CA12CA9CA1CA2
SCHEMBL22897243 0.79 DCAF1 (0.51) DCAF1CA12CA9CA1CA2
SCHEMBL20028150 0.78 DCAF1 (0.41) DCAF1F2F10PRSS1PRSS2
SCHEMBL22897214 0.78 DCAF1 (0.51) DCAF1F2F10PRSS1PRSS2
SCHEMBL20027906 0.78 DCAF1 (0.52) DCAF1F2F10PRSS1PRSS2
SCHEMBL22885968 0.76 DCAF1 (0.49) DCAF1F2F10PRSS1PRSS2

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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