SCHEMBL9564028

SCHEMBL9564028

CCOC(=O)CCS/C(Cc1cccc(OC)c1)=N\NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.48
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GLS O94925 1/20 0.40

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
SCHEMBL9564036 1.00 CTBP2 (0.48) CTBP2CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL9563890 0.88 PPID (0.41) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL9563887 0.88 PPID (0.41) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL9563897 0.82 CTBP2 (0.40) CTBP2KDM4EMAPTPOLBGAA
SCHEMBL9563902 0.82 CTBP2 (0.40) CTBP2KDM4EMAPTPOLBGAA
SCHEMBL511950 0.76 POLB (0.56) CTBP2CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL29640755 0.76 POLB (0.56) CTBP2CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL30172792 0.74 CTBP2 (0.51) CTBP2CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL4319346 0.74 CTBP2 (0.51) CTBP2CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL1802183 0.74 ALDH1A1 (0.56) CYP1A2ALDH1A1KDM4EMAPT

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