SCHEMBL6283322

SCHEMBL6283322

C[C@H]1CCC[C@@](C)(CCCCCN2C(=O)C(Cc3cncc(C(=N)N)n3)Cc3ccccc32)N1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
F10 P00742 6/20 0.33
F2 P00734 5/20 0.33
PRSS1 P07477 5/20 0.33
PLG P00747 3/20 0.32
PROC P04070 1/20 0.32

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
SCHEMBL6275985 0.83 F10 (0.42) HDAC6HDAC4HDAC1HDAC7HDAC2
SCHEMBL6279410 0.83 F10 (0.49) HDAC6HDAC4HDAC1HDAC7HDAC2
SCHEMBL7414989 0.81 F10 (0.46) F10F2PRSS1PLGPROC
SCHEMBL7411273 0.80 F10 (0.33) F10F2PRSS1PLGPROC
SCHEMBL6280043 0.78 HDAC6 (0.36) HDAC6HDAC4HDAC1HDAC7HDAC2
SCHEMBL7403888 0.78 F10 (0.42) F10F2PRSS1PLGPROC
SCHEMBL7407161 0.74 F10 (0.48) F10F2PRSS1PLGPROC
SCHEMBL6284137 0.74 F10 (0.50) F10F2PRSS1PLGPROC
SCHEMBL7414004 0.74 F10 (0.34) HDAC6HDAC4HDAC1HDAC7HDAC2
SCHEMBL7410237 0.74 F10 (0.40) F10F2PRSS1PLGPROC

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
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US claimed