SCHEMBL21471635

SCHEMBL21471635

N/C=N\N=C(/N)c1ccc(CNC(=O)CCCC(=O)NCc2ccc(CNC34CNCCNCC(N)(CNCCNC3)CNCCNC4)cc2)cc1

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 5/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC4 P56524 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC9 Q9UKV0 3/20 0.35
HDAC5 Q9UQL6 3/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NAMPT P43490 2/20 0.33
NCOR2 Q9Y618 2/20 0.33
MEN1 O00255 2/20 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
SCHEMBL21470193 0.85 TPSAB1 (0.40) TPSAB1PRSS1HDAC3HDAC1HDAC2
SCHEMBL21471632 0.79 HPGD (0.51) TPSAB1HDAC3HDAC1HDAC2HDAC4
SCHEMBL21300881 0.78 TPSAB1 (0.50) TPSAB1PRSS1HDAC3HDAC1HDAC2
SCHEMBL18222836 0.77 TPSAB1 (0.42) TPSAB1PRSS1HDAC3HDAC1HDAC2
SCHEMBL21471633 0.75 HDAC3 (0.34) TPSAB1PRSS1HDAC3HDAC1HDAC2
SCHEMBL25666366 0.73 HDAC1 (0.52) TPSAB1PRSS1HDAC3HDAC1HDAC2
SCHEMBL3422313 0.73 KMT2A (0.41) HDAC3HDAC1HDAC8HDAC6MEN1
SCHEMBL27308087 0.72 HDAC6 (0.39) HDAC3HDAC1HDAC8HDAC6LMNA
SCHEMBL3418246 0.70 LOXL2 (0.49) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL27253657 0.70 HDAC1 (0.40) TPSAB1PRSS1HDAC3HDAC1HDAC2

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-2019195890-A1 FORMULATIONS AND KITS FOR RADIOTHERAPY AND DIAGNOSTIC IMAGING Clarity Pharmaceuticals Pty Ltd (AU) 2019-10-17 WO disclosed