SCHEMBL21470193

SCHEMBL21470193

CC12CNCCNCC(NC(=O)CCCC(=O)NCc3ccc(/C(N)=N/N=C\N)cc3)(CNCCNC1)CNCCNC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 4/20 0.40
PRSS1 P07477 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HPGD P15428 2/20 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
SCHEMBL21471635 0.85 TPSAB1 (0.40) TPSAB1PRSS1HDAC3HDAC4HDAC1
SCHEMBL21471633 0.81 HDAC3 (0.34) TPSAB1PRSS1HDAC3HDAC4HDAC1
SCHEMBL21300881 0.78 TPSAB1 (0.50) TPSAB1PRSS1HDAC3HDAC4HDAC1
SCHEMBL25666366 0.76 HDAC1 (0.52) TPSAB1PRSS1HDAC3HDAC4HDAC1
SCHEMBL21470192 0.76 TPSAB1 (0.40) TPSAB1PRSS1HDAC3HDAC4HDAC1
SCHEMBL21470305 0.76 GAA (0.44) TPSAB1HDAC3HDAC4HDAC1HDAC7
SCHEMBL21470303 0.76 TPSAB1 (0.40) TPSAB1PRSS1HDAC3HDAC4HDAC1
SCHEMBL21470304 0.73 HDAC3 (0.39) TPSAB1HDAC3HDAC4HDAC1HDAC7
SCHEMBL21470302 0.73 TPSAB1 (0.38) TPSAB1HDAC3HDAC4HDAC1HDAC7
SCHEMBL26036186 0.73 TPSAB1 (0.38) TPSAB1PRSS1HDAC3HDAC4HDAC1

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-2019195888-A1 TARGETING COMPOUNDS AND METHODS FOR THEIR PRODUCTION THE UNIVERSITY OF MELBOURNE (AU) 2019-10-17 WO disclosed