SCHEMBL22310073

SCHEMBL22310073

CC(C)(O)C(C)(C)OBc1cc(Cl)cc2sc3ccccc3c12

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
APEX1 P27695 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MCL1 Q07820 1/20 0.31
GPR3 P46089 1/20 0.31
ACLY P53396 1/20 0.31
F10 P00742 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
SCHEMBL22310589 0.87
SCHEMBL22310467 0.85 CYP1A1 (0.36)
SCHEMBL22249828 0.83 GPR3 (0.35) PTPN7DUSP3PTPN12PTPN22MAPT
SCHEMBL22311754 0.83 APEX1 (0.35) PTPN7DUSP3PTPN12PTPN22KDM4E
SCHEMBL22301495 0.79 PTPN7 (0.39) PTPN7DUSP3PTPN12PTPN22KDM4E
SCHEMBL22303256 0.79 PTPN7 (0.39) PTPN7DUSP3PTPN12PTPN22KDM4E
SCHEMBL21186857 0.78 HCRTR1 (0.33) PTPN7DUSP3PTPN12PTPN22KDM4E
SCHEMBL22311247 0.78 MCL1 (0.31) APEX1MCL1
SCHEMBL22310928 0.77 DUSP3 (0.34) PTPN7DUSP3PTPN12PTPN22KDM4E
SCHEMBL20391687 0.76 KDM4E (0.30) KDM4E

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-2020159340-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2020-08-06 WO disclosed