SCHEMBL25149477

SCHEMBL25149477

COc1nc(-c2ccccc2OCC2CCOCC2)ccc1C(=O)N[C@@H]1C=CS(=O)(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CD274 Q9NZQ7 8/20 0.36
PDCD1 Q15116 2/20 0.36
PDCD1LG2 Q9BQ51 6/20 0.35
GRM4 Q14833 2/20 0.35
RIPK1 Q13546 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
JAK2 O60674 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 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
SCHEMBL30364863 1.00 BRD4 (0.39) BRD4MEN1LMNAKMT2ACD274
SCHEMBL30365050 0.92 MEN1 (0.39) MEN1LMNAKMT2ACD274PDCD1
SCHEMBL25149261 0.92 MEN1 (0.39) MEN1LMNAKMT2ACD274PDCD1
SCHEMBL30364692 0.83 CD274 (0.51) BRD4CD274PDCD1PDCD1LG2GRM4
SCHEMBL25149474 0.83 CD274 (0.51) BRD4CD274PDCD1PDCD1LG2GRM4
SCHEMBL25148658 0.81 CD274 (0.43) BRD4CD274PDCD1PDCD1LG2GRM4
SCHEMBL30365211 0.81 CD274 (0.43) BRD4CD274PDCD1PDCD1LG2GRM4
SCHEMBL25149505 0.80 IRAK4 (0.46) BRD4CD274PDCD1PDCD1LG2GRM4
SCHEMBL25149548 0.80 MEN1 (0.40) BRD4MEN1LMNAKMT2AGRM4
SCHEMBL31547501 0.78 LMNA (0.42) MEN1LMNAKMT2APDE4BJAK2

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
WO-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 WO disclosed