SCHEMBL9563902

SCHEMBL9563902

CCOC(=O)CCSC(Cc1ccc(C)cc1)=NNC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.40
MAPK1 P28482 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
CYP4Z1 Q86W10 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL9563897 1.00 CTBP2 (0.40) CTBP2MAPK1HPGDKDM4EGLA
SCHEMBL9563887 0.91 PPID (0.41) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL9563890 0.91 PPID (0.41) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL9564028 0.82 CTBP2 (0.48) CTBP2HPGDKDM4EMAPTKMT2A
SCHEMBL9564036 0.82 CTBP2 (0.48) CTBP2HPGDKDM4EMAPTKMT2A
SCHEMBL9564047 0.76 GAA (0.34) MAPK1HPGDKDM4EMAPTKMT2A
SCHEMBL9563878 0.73 GAA (0.39) MAPK1HPGDKDM4EGLAMAPT
SCHEMBL9563874 0.73 GAA (0.39) MAPK1HPGDKDM4EGLAMAPT
SCHEMBL9563876 0.73 GAA (0.39) MAPK1HPGDKDM4EGLAMAPT
SCHEMBL1107146 0.70 CYP4Z1 (0.57) CTBP2MAPK1HPGDKDM4EMAPT

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