SCHEMBL21408620

SCHEMBL21408620

[c]1cccc(-c2ccccc2)c1CNC1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 1/20 0.49
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GRIN2B Q13224 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
CD274 Q9NZQ7 8/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
GAA P10253 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
PDCD1 Q15116 2/20 0.33
HRH1 P35367 1/20 0.33
HDAC1 Q13547 1/20 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
SCHEMBL6640137 0.94 KMT2A (0.43) MEN1KMT2ARAB9ASLC6A2SLC6A4
SCHEMBL6636865 0.94 MEN1 (0.43) MEN1KMT2ARAB9ASLC6A2SLC6A4
SCHEMBL6640607 0.79 MEN1 (0.42) MEN1KMT2ACD274HDAC1ALDH1A1
SCHEMBL6329476 0.78 ALDH1A1 (0.49) GRIN2BALDH1A1
SCHEMBL6322030 0.78 ALDH1A1 (0.52) GRIN2BGAAALDH1A1
SCHEMBL6331308 0.77 KDM4E (0.42) GRIN2BCD274OPRM1OPRK1ALDH1A1
SCHEMBL6324148 0.77 KDM4E (0.39) GRIN2BCD274ALDH1A1NPSR1HRH3
SCHEMBL19692916 0.77 KDM4E (0.39) MEN1KMT2ACD274PDCD1ALDH1A1
SCHEMBL5872547 0.75 SLC6A2 (0.69) MEN1KMT2ARAB9ASLC6A2SLC6A4
SCHEMBL6324190 0.74 KDM4E (0.40) GAAHDAC1ALDH1A1NPSR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021064188-A1 COMBINATION COMPRISING HDAC INHIBITOR, CTLA-4 INHIBITOR AND A PD-1 INHIBITOR OR PD-L1 INHIBITOR FOR CANCER TREATMENT 4SC AG (DE) 2021-04-08 WO disclosed
EP-3781159-A1 COMBINATION COMPRISING HDAC INHIBITOR, LAG-3 INHIBITOR AND A PD-1 INHIBITOR OR PD-L1 INHIBITOR FOR CANCER TREATMENT 4SC AG (DE) 2021-02-24 EP disclosed
EP-3781557-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER 4SC AG (DE) 2021-02-24 EP disclosed
EP-3773554-A1 COMBINATION COMPRISING HDAC INHIBITOR AND CD137 AGONIST FOR CANCER THERAPY 4SC AG (DE) 2021-02-17 EP disclosed
WO-2019202001-A1 COMBINATION COMPRISING HDAC INHIBITOR, LAG-3 INHIBITOR AND A PD-1 INHIBITOR OR PD-L1 INHIBITOR FOR CANCER TREATMENT 4SC AG (DE) 2019-10-24 WO disclosed
WO-2019200238-A1 COMBINATIONS INCLUDING A CPG-C TYPE OLIGONUCLEOTIDE AND A HISTONE DEACETYLASE INHIBITOR FOR TREATING CANCER DYNAVAX TECHNOLOGIES CORPORATION (US) 2019-10-17 WO disclosed
WO-2019197682-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER 4SC AG (DE) 2019-10-17 WO disclosed
WO-2019185598-A1 COMBINATION COMPRISING HDAC INHIBITOR AND CD137 AGONIST FOR CANCER THERAPY 4SC AG (DE) 2019-10-03 WO disclosed