SCHEMBL9764405

SCHEMBL9764405

S=c1sc(=Nc2ccc(Cl)cc2)n2n1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDE7A Q13946 4/20 0.35
PDE4D Q08499 2/20 0.35
PDE1A P54750 2/20 0.35
PDE1B Q01064 2/20 0.35
PDE1C Q14123 2/20 0.35
PDE5A O76074 1/20 0.33
PDE3A Q14432 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 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
SCHEMBL9764402 1.00 NPC1 (0.40) NPC1RAB9APDE7APDE4DPDE1A
SCHEMBL9764378 0.81 NPC1 (0.40) NPC1RAB9APDE7APDE4DPDE1A
SCHEMBL11126928 0.65 MAPT (0.37) NPC1RAB9APDE7APDE4DPDE1A
SCHEMBL9764683 0.63 SMN1; SMN2 (0.34) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL9764336 0.63 SMN1; SMN2 (0.34) KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL11358963 0.60 SMN1; SMN2 (0.41) GAAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL11140863 0.60 GAA (0.35) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL11372122 0.59 ALDH1A1 (0.41) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL11374537 0.59 ALDH1A1 (0.41) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL11376371 0.57 ALDH1A1 (0.41) GAAKDM4EALDH1A1MAPTSMN1; 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