SCHEMBL29018709

SCHEMBL29018709

NC(=S)NN=Cc1c(O)ccc2ccccc12.[Ir]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.97
MAPT P10636 4/20 0.97
GLA P06280 1/20 0.97
HTT P42858 4/20 0.69
GAA P10253 2/20 0.69
NPSR1 Q6W5P4 1/20 0.69
RRM1 P23921 3/20 0.60
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
NPC1 O15118 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
PAX8 Q06710 1/20 0.56
CYP1A2 P05177 1/20 0.56
ALOX15 P16050 1/20 0.56
CASP1 P29466 1/20 0.56
HIF1A Q16665 1/20 0.56
NCOA3 Q9Y6Q9 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
SCHEMBL1898236 0.99 KDM4E (1.00) KDM4EMAPTGLAHTTGAA
SCHEMBL6639066 0.99 KDM4E (1.00) KDM4EMAPTGLAHTTGAA
SCHEMBL30471385 0.97 KDM4E (0.97) KDM4EMAPTGLAHTTGAA
SCHEMBL6746917 0.85 KDM4E (0.76) KDM4EMAPTGLAHTTRRM1
SCHEMBL6746916 0.85 KDM4E (0.76) KDM4EMAPTGLAHTTRRM1
Hydrochloric Acid SCHEMBL6741355 0.84 KDM4E (0.74) KDM4EMAPTGLAHTTRRM1
SCHEMBL20080878 0.84 KDM4E (0.74) KDM4EMAPTGLAHTTRRM1
Hydrochloric Acid SCHEMBL6741358 0.84 KDM4E (0.74) KDM4EMAPTGLAHTTRRM1
Hydrochloric Acid SCHEMBL7112094 0.83 KDM4E (0.72) KDM4EMAPTGLAHTTRRM1
Hydrochloric Acid SCHEMBL7112090 0.83 KDM4E (0.72) KDM4EMAPTGLAHTTRRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514873-B Iridium compound with 2-hydroxy-1-naphthaldehyde thiosemicarbazone as ligand and synthetic method and application thereof 广西科技师范学院 2024-09-20 CN claimed
CN-116514873-A Iridium compound with 2-hydroxy-1-naphthaldehyde thiosemicarbazone as ligand and synthetic method and application thereof 广西科技师范学院 2023-08-01 CN claimed
CN-116284150-A 2-hydroxy-1-naphthaldehyde thiosemicarbazone iridium (III) complex and preparation method and application thereof 广西科技师范学院 2023-06-23 CN claimed
CN-116514873-B Iridium compound with 2-hydroxy-1-naphthaldehyde thiosemicarbazone as ligand and synthetic method and application thereof 广西科技师范学院 2024-09-20 CN disclosed
CN-116514873-B Iridium compound with 2-hydroxy-1-naphthaldehyde thiosemicarbazone as ligand and synthetic method and application thereof 广西科技师范学院 2024-09-20 CN disclosed
CN-116514873-B Iridium compound with 2-hydroxy-1-naphthaldehyde thiosemicarbazone as ligand and synthetic method and application thereof 广西科技师范学院 2024-09-20 CN disclosed
CN-116514873-A Iridium compound with 2-hydroxy-1-naphthaldehyde thiosemicarbazone as ligand and synthetic method and application thereof 广西科技师范学院 2023-08-01 CN disclosed
CN-116514873-A Iridium compound with 2-hydroxy-1-naphthaldehyde thiosemicarbazone as ligand and synthetic method and application thereof 广西科技师范学院 2023-08-01 CN disclosed
CN-116514873-A Iridium compound with 2-hydroxy-1-naphthaldehyde thiosemicarbazone as ligand and synthetic method and application thereof 广西科技师范学院 2023-08-01 CN disclosed
CN-116284150-A 2-hydroxy-1-naphthaldehyde thiosemicarbazone iridium (III) complex and preparation method and application thereof 广西科技师范学院 2023-06-23 CN disclosed
CN-116284150-A 2-hydroxy-1-naphthaldehyde thiosemicarbazone iridium (III) complex and preparation method and application thereof 广西科技师范学院 2023-06-23 CN disclosed
CN-116284150-A 2-hydroxy-1-naphthaldehyde thiosemicarbazone iridium (III) complex and preparation method and application thereof 广西科技师范学院 2023-06-23 CN disclosed