SCHEMBL28762602

SCHEMBL28762602

CCCCCCCCCCCCS(=O)(=O)NC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
RELA Q04206 4/20 0.44
FAAH O00519 2/20 0.43

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
SCHEMBL333178 1.00 CA2 (0.44) CA2RELAFAAH
SCHEMBL6470707 1.00 CA2 (0.44) CA2RELAFAAH
SCHEMBL10363795 1.00 CA2 (0.44) CA2RELAFAAH
SCHEMBL1347954 0.98 RELA (0.41) CA2RELAFAAH
Benzene SCHEMBL27582507 0.94 PTPN1 (0.47) RELA
Carbamic Acid SCHEMBL10399044 0.94 PTPN1 (0.40) CA2RELAFAAH
SCHEMBL8827496 0.92 ALDH1A1 (0.35) CA2RELA
SCHEMBL27720897 0.88 RELA (0.37) CA2RELAFAAH
SCHEMBL4668386 0.82 FAAH (0.45) FAAH
SCHEMBL4296201 0.82 FAAH (0.45) FAAH

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
CN-112472822-B Construction and application of endoplasmic reticulum targeted nano drug delivery system 浙江大学 2022-05-27 CN disclosed