SCHEMBL7427769

SCHEMBL7427769

O=C1CC=Cc2sc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 1/20 0.36
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.35
DDAH1 O94760 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
POLB P06746 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MCL1 Q07820 2/20 0.33
MEN1 O00255 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33

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
SCHEMBL5341185 0.90 KDM4E (0.38) GPR3ALDH1A1ALOX15MAPTKDM4E
SCHEMBL28585693 0.78 KDM4E (0.36) GPR3ALDH1A1ALOX15MAPTKDM4E
SCHEMBL28470825 0.74 LIMK1 (0.37) LIMK1
SCHEMBL4324161 0.74 GPR3 (0.44) GPR3ALDH1A1ALOX15MAPTKDM4E
SCHEMBL9654552 0.74
SCHEMBL5313374 0.71 CES1 (0.43) GPR3ALDH1A1ALOX15MAPTKDM4E
SCHEMBL9477925 0.70 BCL2 (0.33)
SCHEMBL4869891 0.70 KDM4E (0.38) GPR3ALDH1A1ALOX15MAPTKDM4E
SCHEMBL29407440 0.67 ALDH1A1 (0.33) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL19674661 0.67 KDM4E (0.38) GPR3ALDH1A1ALOX15MAPTKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317088-A1 Ketone derivatives GLAXO GROUP LIMITED (GB) 1989-05-24 EP claimed
CN-113629215-A Organic light emitting device and electronic apparatus including the same 三星显示有限公司 2021-11-09 CN disclosed
CN-113497197-A Organometallic compound and organic light emitting device including the same 三星显示有限公司 2021-10-12 CN disclosed
CN-111808140-A Organometallic compound, and organic light emitting device and diagnostic composition including the same 三星电子株式会社 2020-10-23 CN disclosed
CN-111747992-A Organometallic compound, organic light emitting device including the same, and electronic apparatus including the organic light emitting device 三星电子株式会社 2020-10-09 CN disclosed
CN-111269267-A Organometallic compound, and organic light emitting device and diagnostic composition including the same 三星电子株式会社 2020-06-12 CN disclosed
CN-110872326-A Organometallic compound, organic light emitting device including the same, and diagnostic composition 三星电子株式会社 2020-03-10 CN disclosed
CN-104736700-A Compositions and methods comprising lipolytic enzyme variants DANISCO US INC 2015-06-24 CN disclosed