SCHEMBL9564047

SCHEMBL9564047

CCOC(=O)CCS/C(CC(C)(C)C)=N/NC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 3/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
PDE5A O76074 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL9564050 1.00 GAA (0.34) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL9563931 0.89 TSHR (0.34) TSHR
SCHEMBL9563938 0.89 TSHR (0.34) TSHR
SCHEMBL9563936 0.89 TSHR (0.34) TSHR
SCHEMBL9563874 0.78 GAA (0.39) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL9563876 0.78 GAA (0.39) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL9563878 0.78 GAA (0.39) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL9563890 0.76 PPID (0.41) POLBALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL9563887 0.76 PPID (0.41) POLBALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL9563902 0.76 CTBP2 (0.40) GAAPOLBMAPK1KMT2AKDM4E

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
EP-0525832-A1 Substituted 1,2,3- thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1993-02-03 EP disclosed
US-4916237-A Substituted 1,2,3-thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
US-4803280-A Substituted 1,2,3-thia-diazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1989-02-07 US disclosed
EP-0252474-A2 Hydrazine derivatives AMERICAN CYANAMID COMPANY (US) 1988-01-13 EP disclosed