SCHEMBL28615940

SCHEMBL28615940

COc1ccc(CNC2=C(Cl)C(=O)C(c3c(C)[nH]c4ccccc34)=C(Cl)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.47
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 1/20 0.43
OXTR P30559 1/20 0.43
POLB P06746 1/20 0.42
GSK3B P49841 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CAPN1 P07384 1/20 0.39
VCP P55072 1/20 0.39
VDR P11473 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL28619501 0.96 CNR1 (0.47) CNR1MAPTKDM4EMAPK1OXTR
SCHEMBL28624019 0.85 VDR (0.45) MAPTKDM4EMAPK1POLBMEN1
SCHEMBL28616025 0.83 LMNA (0.49) MAPTKDM4EPOLBGSK3BMEN1
SCHEMBL28632983 0.81 VDR (0.45) MAPTKDM4EMAPK1POLBMEN1
SCHEMBL28620632 0.78 LMNA (0.49) MAPTKDM4EPOLBGSK3BMEN1
SCHEMBL28615232 0.78 LMNA (0.43) MAPTKDM4EPOLBGSK3BMEN1
SCHEMBL28619465 0.75 LMNA (0.49) MAPTKDM4EPOLBGSK3BMEN1
SCHEMBL28620116 0.75 LMNA (0.49) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL28624008 0.73 LMNA (0.43) MAPTKDM4EPOLBGSK3BMEN1
SCHEMBL28627378 0.71 LMNA (0.49) MAPTKDM4EPOLBGSK3BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113200967-B Indole benzoquinone compound, preparation method and application thereof 中国人民解放军陆军军医大学 2022-05-24 CN disclosed
CN-113200967-A Indole benzoquinone compound, preparation method and application thereof 中国人民解放军陆军军医大学 2021-08-03 CN disclosed