SCHEMBL9563876

SCHEMBL9563876

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 3/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
TRPA1 O75762 1/20 0.33

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
SCHEMBL9563874 1.00 GAA (0.39) GAAMGAMSIMGAM2MAPT
SCHEMBL9563878 1.00 GAA (0.39) GAAMGAMSIMGAM2MAPT
SCHEMBL11097018 0.80 CYP1A2 (0.41) GAAMGAMSIMGAM2MAPT
SCHEMBL9564050 0.78 GAA (0.34) GAAMGAMSIMGAM2MAPT
SCHEMBL9564047 0.78 GAA (0.34) GAAMGAMSIMGAM2MAPT
SCHEMBL9128807 0.75 CYP1A2 (0.47) GAAMGAMSIMGAM2MAPT
SCHEMBL9563890 0.74 PPID (0.41) MAPTALDH1A1KDM4EPOLBKMT2A
SCHEMBL9563887 0.74 PPID (0.41) MAPTALDH1A1KDM4EPOLBKMT2A
SCHEMBL9563902 0.73 CTBP2 (0.40) GAAMAPTMAPK1KDM4EPOLB
SCHEMBL9563980 0.72 CYP1A2 (0.44) GAAMGAMSIMGAM2MAPT

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 3 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