SCHEMBL27979265

SCHEMBL27979265

NC(=S)N(CCO)CCO

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
ALDH1A1 P00352 1/20 0.42
ALDH2 P05091 1/20 0.42
MAPT P10636 1/20 0.33

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
SCHEMBL17633698 0.84
SCHEMBL28929084 0.83 ALDH1A1 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL4074602 0.78 CA12 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL8089633 0.77 CA12 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL1286192 0.77 CA12 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL18628755 0.76 TDP1 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL27571845 0.76 TDP1 (0.47) MAPT
SCHEMBL9565381 0.75
SCHEMBL9437147 0.75 CA12 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL27120166 0.75 CA12 (0.46) CA12CA1CA2CA9ALDH1A1

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-102735524-B Method for recovering metal and kit for recovery of metal for use in the same ARKRAY INC 2014-11-12 CN disclosed