SCHEMBL9563887

SCHEMBL9563887

CCOC(=O)CCS/C(Cc1ccccc1)=N\NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.41
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 5/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX5 P09917 1/20 0.40
LTA4H P09960 3/20 0.40
MEN1 O00255 3/20 0.39
TOP2A P11388 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PAM P19021 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
SCHEMBL9563890 1.00 PPID (0.41) PPIDKDM4EPOLBKMT2AMAPT
SCHEMBL9563902 0.91 CTBP2 (0.40) KDM4EPOLBKMT2AMAPTMEN1
SCHEMBL9563897 0.91 CTBP2 (0.40) KDM4EPOLBKMT2AMAPTMEN1
SCHEMBL9564028 0.88 CTBP2 (0.48) KDM4EPOLBKMT2AMAPTALDH1A1
SCHEMBL9564036 0.88 CTBP2 (0.48) KDM4EPOLBKMT2AMAPTALDH1A1
SCHEMBL9564047 0.76 GAA (0.34) KDM4EPOLBKMT2AMAPTLMNA
SCHEMBL9563878 0.74 GAA (0.39) KDM4EPOLBKMT2AMAPTLMNA
SCHEMBL9563874 0.74 GAA (0.39) KDM4EPOLBKMT2AMAPTLMNA
SCHEMBL9563876 0.74 GAA (0.39) KDM4EPOLBKMT2AMAPTLMNA
SCHEMBL1332625 0.71 ALDH1A1 (0.68) PPIDKMT2AMAPTLMNAALDH1A1

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