SCHEMBL22508149

SCHEMBL22508149

COCCOCCOCCN(C(=O)OC(C)(C)C)c1cc(CBr)cc(CBr)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.34
CSNK2A1 P68400 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
CSNK2A2 P19784 1/20 0.32
CA2 P00918 3/20 0.31

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
SCHEMBL12700643 0.89 CSNK2A1 (0.35) F2CSNK2A1L3MBTL1CSNK2A2
SCHEMBL22508171 0.89 CSNK2A1 (0.39) F2CSNK2A1L3MBTL1CSNK2A2
SCHEMBL22508201 0.83 F2 (0.36) F2CSNK2A1L3MBTL1
SCHEMBL12695835 0.79 NR1I2 (0.38) F2CSNK2A1L3MBTL1CSNK2A2
SCHEMBL22508203 0.77 F2 (0.33) F2
SCHEMBL25522772 0.76 F2 (0.41) F2CSNK2A1L3MBTL1CSNK2A2
SCHEMBL30179199 0.71 DGAT1 (0.34) L3MBTL1
SCHEMBL2800162 0.70 AKT1 (0.39) F2L3MBTL1
SCHEMBL89601 0.70 GRIN2D (0.39) L3MBTL1
SCHEMBL22957198 0.70 PDK2 (0.37) L3MBTL1

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-2020205564-A1 CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES IMMUNOGEN, INC. (US) 2020-10-08 WO disclosed