SCHEMBL18902885

SCHEMBL18902885

NCCN(CCNC(=O)CCS)CCNC1CCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
EPHX2 P34913 1/20 0.31
ACE P12821 1/20 0.30
CXCR4 P61073 1/20 0.30
DNM1 Q05193 1/20 0.30

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
SCHEMBL18902725 0.93 KMT2A (0.39) KMT2AHDAC3HDAC1HDAC2HDAC10
SCHEMBL15445157 0.84 CA1 (0.39) KMT2AHDAC3HDAC1HDAC2HDAC10
SCHEMBL13499932 0.80 KMT2A (0.31) KMT2ACXCR4
SCHEMBL18902929 0.80 KMT2A (0.31) KMT2ACXCR4
SCHEMBL16330387 0.75 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9452819 0.75 RAD52 (0.37) KMT2ACXCR4
SCHEMBL9417398 0.75 RAD52 (0.37) KMT2ACXCR4
SCHEMBL9452852 0.75 RAD52 (0.37) KMT2ACXCR4
SCHEMBL22009542 0.75 RAD52 (0.37) KMT2ACXCR4
SCHEMBL9452856 0.75 RAD52 (0.37) KMT2ACXCR4

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
EP-1725572-B1 MACROMOLECULAR NUCLEOTIDE COMPOUNDS AND METHODS FOR USING THE SAME AGCT GMBH (DE) 2017-05-31 EP disclosed