SCHEMBL20810331

SCHEMBL20810331

N#CCCC/C=C\c1cccc(C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.39
FOLH1 Q04609 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP10 Q53GL7 3/20 0.37
PARP14 Q460N5 2/20 0.37
TNKS O95271 1/20 0.37
PARP15 Q460N3 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
TTR P02766 1/20 0.36
P4HB P07237 1/20 0.36
FAAH O00519 1/20 0.35
TSHR P16473 1/20 0.35
FBP1 P09467 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
TBXAS1 P24557 1/20 0.35
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34

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
SCHEMBL20810556 0.83 FAAH (0.46) PARP1MEN1KMT2AFAAHTSHR
SCHEMBL20810440 0.80 PTPRC (0.41) KMT2AHDAC3HDAC1TBXAS1
SCHEMBL16799904 0.79 NPSR1 (0.41)
SCHEMBL16799906 0.79 NPSR1 (0.41)
SCHEMBL16799907 0.79 NPSR1 (0.41)
SCHEMBL16799905 0.79 NPSR1 (0.41)
SCHEMBL17049468 0.78 CNR1 (0.42)
SCHEMBL17977251 0.78 GPR132 (0.43)
SCHEMBL19927836 0.78 TTR (0.34) TTRP4HBFBP1TBXAS1
SCHEMBL16800008 0.78 GPR132 (0.43)

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-3077369-B1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2019-03-13 EP disclosed