SCHEMBL28604352

SCHEMBL28604352

Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(/C=C\C4OCCO4)cnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
BRD4 O60885 6/20 0.37
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
PTPN11 Q06124 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
UBE2N P61088 1/20 0.33
ACVR1 Q04771 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GRM4 Q14833 1/20 0.32
HTR6 P50406 1/20 0.32
MAPT P10636 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32

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
SCHEMBL12035832 1.00 L3MBTL1 (0.39) L3MBTL1BRD4ATRATRIPPTPN11
SCHEMBL1935258 0.83 L3MBTL1 (0.38) L3MBTL1BRD4ATRATRIPPTPN11
SCHEMBL28917554 0.83 ALDH1A1 (0.36) L3MBTL1PKMKDM4EPDE4BHTR6
SCHEMBL1935252 0.83 ALDH1A1 (0.36) L3MBTL1PKMKDM4EPDE4BHTR6
SCHEMBL1935255 0.83 ALDH1A1 (0.36) L3MBTL1PKMKDM4EPDE4BHTR6
SCHEMBL1933799 0.81 L3MBTL1 (0.47) L3MBTL1BRD4PTPN11PKMKDM4E
SCHEMBL27889757 0.81 PIP4K2A (0.31)
SCHEMBL28594637 0.81 L3MBTL1 (0.43) L3MBTL1BRD4PTPN11PKMKDM4E
SCHEMBL12035853 0.81 L3MBTL1 (0.43) L3MBTL1BRD4PTPN11PKMKDM4E
SCHEMBL18855917 0.80 L3MBTL1 (0.46) L3MBTL1BRD4PTPN11PKMKDM4E

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-109053742-B Novel tricyclic compounds ABBVIE 公司 2021-06-15 CN disclosed