SCHEMBL9764431

SCHEMBL9764431

CCOC(=O)c1cc(/N=c2/sc(=O)n3n2CCCC3)c(F)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34

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
SCHEMBL9764435 1.00 BAZ2B (0.39) BAZ2BBAZ2AALDH1A1CYP1A2CYP2C19
SCHEMBL9824193 0.91 BAZ2B (0.41) BAZ2BBAZ2AALDH1A1CYP1A2LMNA
SCHEMBL9824187 0.91 BAZ2B (0.41) BAZ2BBAZ2AALDH1A1CYP1A2LMNA
SCHEMBL9494766 0.89 GAA (0.44) ALDH1A1CYP1A2CYP2C19LMNAMAPT
SCHEMBL9494772 0.89 GAA (0.44) ALDH1A1CYP1A2CYP2C19LMNAMAPT
SCHEMBL9770887 0.85 BAZ2B (0.37) BAZ2BBAZ2AALDH1A1CYP1A2CYP2C19
SCHEMBL9494943 0.85 HPGD (0.39) MAPTHPGDSMN1; SMN2
SCHEMBL9679868 0.85 HPGD (0.39) MAPTHPGDSMN1; SMN2
SCHEMBL9493325 0.84 PPOX (0.31)
SCHEMBL9492122 0.84 HTR7 (0.38) ALDH1A1LMNAMAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE33745-E Thiadiazabicyclononane derivatives, processes for their production and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-11-19 US disclosed
EP-0238711-B1 THIADIAZABICYCLONONANE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND HERBIZIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-11-28 EP disclosed
US-4816063-A PLANT GROWTH REGULATORS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-03-28 US disclosed
EP-0238711-A1 Thiadiazabicyclononane derivatives, processes for their production and herbizidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-09-30 EP disclosed