SCHEMBL5592873

SCHEMBL5592873

Cc1cccc(C#CC(=O)c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.68
HSP90AA1 P07900 4/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
HTT P42858 2/20 0.60
OPRK1 P41145 2/20 0.60
S1PR2 O95136 1/20 0.60
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MITF O75030 1/20 0.52
FFAR1 O14842 4/20 0.49
NTSR1 P30989 1/20 0.46
POLB P06746 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
PARP1 P09874 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
GRM5 P41594 1/20 0.44

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
SCHEMBL31614569 1.00 VCP (0.68) VCPHSP90AA1ALDH1A1MAPTNPSR1
SCHEMBL5593355 0.90 VCP (0.73) VCPHSP90AA1ALDH1A1MAPTNPSR1
SCHEMBL5592874 0.90 VCP (0.68) VCPHSP90AA1ALDH1A1MAPTNPSR1
SCHEMBL30114847 0.90 VCP (0.68) VCPHSP90AA1ALDH1A1MAPTNPSR1
SCHEMBL30114955 0.86 VCP (0.58) VCPHSP90AA1ALDH1A1MAPTNPSR1
SCHEMBL28972874 0.86 VCP (0.58) VCPHSP90AA1ALDH1A1MAPTNPSR1
SCHEMBL5380220 0.82 FFAR1 (0.54) VCPNPSR1FFAR1FFAR4GRM5
SCHEMBL978641 0.82 VCP (0.75) VCPHSP90AA1ALDH1A1MAPTNPSR1
SCHEMBL15827958 0.81 VCP (1.00) VCPHSP90AA1ALDH1A1MAPTNPSR1
SCHEMBL16582689 0.81 VCP (0.86) VCPHSP90AA1ALDH1A1MAPTNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4333819-A1 TREATMENT OF PHARMACORESISTANT EPILEPSY Katholieke Universiteit Leuven (BE) 2024-03-13 EP disclosed
WO-2022233877-A1 TREATMENT OF PHARMACORESISTANT EPILEPSY KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-11-10 WO disclosed
WO-2007074238-A2 NOVEL N-ALK-(E)-YLIDENE-N'-PYRIMIDIN-2-YL HYDRAZINE DERIVATIVES AND USE THEREOF AS CYTOPROTECTIVE DRUGS TROPHOS (FR) 2007-07-05 WO disclosed