SCHEMBL22311754

SCHEMBL22311754

CC(C)(O)C(C)(C)OBc1cc(Cl)cc2c1sc1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 2/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
ALDH1A1 P00352 3/20 0.32
ATM Q13315 1/20 0.32
RAB9A P51151 1/20 0.32
MCL1 Q07820 1/20 0.31
GPR3 P46089 1/20 0.31
ACLY P53396 1/20 0.31
POLB P06746 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL22311243 0.87
SCHEMBL22311329 0.84 NQO1 (0.30)
SCHEMBL22311738 0.84 CYP1A1 (0.37)
SCHEMBL18164670 0.84 MAPT (0.37) APEX1MAPTKDM4EPTPN7DUSP3
SCHEMBL25140477 0.83 PARP14 (0.36) APEX1MAPTKDM4EPTPN7DUSP3
SCHEMBL22310073 0.83 PTPN7 (0.33) APEX1MAPTKDM4EPTPN7DUSP3
SCHEMBL21187005 0.82 PARP14 (0.39) APEX1MAPTKDM4EPTPN7DUSP3
SCHEMBL22302490 0.81 APEX1 (0.35) APEX1MAPTKDM4EPTPN7DUSP3
SCHEMBL22302738 0.81 APEX1 (0.35) APEX1MAPTKDM4EPTPN7DUSP3
SCHEMBL22303256 0.79 PTPN7 (0.39) APEX1MAPTKDM4EPTPN7DUSP3

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-2020159334-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2020-08-06 WO disclosed