SCHEMBL9857548

SCHEMBL9857548

CCSCC(=O)C(=O)NN

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CTSD P07339 1/20 0.36
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
METAP2 P50579 2/20 0.32
METAP1 P53582 1/20 0.32

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
SCHEMBL9375286 0.78
SCHEMBL1149810 0.74
SCHEMBL16387155 0.72
SCHEMBL1478683 0.71
SCHEMBL11229278 0.70
Diethyl Sulfide SCHEMBL27771169 0.70 TSHR (0.39) KDM4EALDH1A1CTSDALOX15TSHR
SCHEMBL1709970 0.70
SCHEMBL721708 0.69
SCHEMBL10350231 0.68 TSHR (0.40) ALDH1A1TSHR
Zinc Ion SCHEMBL964381 0.67 FFAR3 (0.39) ALDH1A1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0193822-B1 8-Chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid, 2-(thio-, sulfinyl- and sulfonyl-containing acyl)hydrazides G.D. Searle & Co. (US) 1991-03-20 EP claimed