SCHEMBL29908306

SCHEMBL29908306

O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)o2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.80
APEX1 P27695 1/20 0.67
DUSP22 Q9NRW4 4/20 0.62
PTPN12 Q05209 1/20 0.61
PTPN22 Q9Y2R2 1/20 0.61
PIK3CG P48736 2/20 0.60
IKBKB O14920 1/20 0.58
MEN1 O00255 3/20 0.56
POLB P06746 3/20 0.56
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
GPR55 Q9Y2T6 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL6795412 0.93 APEX1 (0.70) LCKAPEX1DUSP22PTPN12PTPN22
SCHEMBL3892654 0.92 APEX1 (0.71) LCKAPEX1DUSP22PTPN12PTPN22
SCHEMBL3892650 0.92 APEX1 (0.71) LCKAPEX1DUSP22PTPN12PTPN22
SCHEMBL29554158 0.92 LCK (0.68) LCKAPEX1DUSP22PTPN12PTPN22
SCHEMBL3896597 0.92 LCK (0.68) LCKAPEX1DUSP22PTPN12PTPN22
SCHEMBL3896603 0.92 LCK (0.68) LCKAPEX1DUSP22PTPN12PTPN22
SCHEMBL14426457 0.89 LCK (1.00) LCKAPEX1PIK3CGMEN1POLB
SCHEMBL25865503 0.89 LCK (1.00) LCKAPEX1PIK3CGMEN1POLB
SCHEMBL29697584 0.88 DUSP22 (0.64) LCKAPEX1DUSP22PTPN12PTPN22
SCHEMBL3892623 0.88 PTPN12 (0.81) LCKAPEX1DUSP22PTPN12PTPN22

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
CN-114057880-B DLL3 monoclonal antibody 四川大学华西医院 2022-09-09 CN disclosed