SCHEMBL21465705

SCHEMBL21465705

[c]1ccc(-c2ccccc2)c(CNC2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 1/20 0.47
GRIN2B Q13224 1/20 0.37
CD274 Q9NZQ7 5/20 0.37
HDAC3 O15379 1/20 0.36
CDK2 P24941 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL21462436 0.94 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL5872547 0.80 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL5872540 0.74 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL5236635 0.73 PDCD1 (0.44) KMT2AMEN1RAB9ACD274HDAC4
SCHEMBL9057181 0.73 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL7703141 0.72 DPP4 (0.39) KMT2ACD274BACE1ALDH1A1
SCHEMBL21408619 0.72 DPP4 (0.59) KMT2ARAB9ACD274BACE1ALDH1A1
SCHEMBL5685480 0.72 DPP4 (0.39) KMT2ARAB9ACD274BACE1LMNA
SCHEMBL6670308 0.72 DPP4 (0.39) KMT2ACD274BACE1ALDH1A1
SCHEMBL5611030 0.72 SETDB1 (0.40) KMT2ACD274HTTKDM4E

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 2 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
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