SCHEMBL16627205

SCHEMBL16627205

COC(=O)C(N)CSN=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
IDO1 P14902 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LTA4H P09960 2/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15413070 1.00 KIF11 (0.39) KIF11IDO1SMN1; SMN2LTA4HALDH1A1
SCHEMBL4115823 0.82 ALOX15 (0.37) ALDH1A1
SCHEMBL31615179 0.82 ALOX15 (0.37) ALDH1A1
SCHEMBL110066 0.79
SCHEMBL12438525 0.79 KIF11 (0.43) KIF11SMN1; SMN2LTA4HALDH1A1
SCHEMBL111173 0.79 KIF11 (0.43) KIF11SMN1; SMN2LTA4HALDH1A1
SCHEMBL111172 0.79 KIF11 (0.43) KIF11SMN1; SMN2LTA4HALDH1A1
SCHEMBL111171 0.79 KIF11 (0.43) KIF11SMN1; SMN2LTA4HALDH1A1
SCHEMBL16471260 0.79
SCHEMBL2692924 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453844-B2 Detection of protein S-sulfhydration via a tag-switch technique WASHINGTON STATE UNIVERSITY (US) 2016-09-27 US disclosed
US-20150099305-A1 DETECTION OF PROTEIN S-SULFHYDRATION VIA A TAG-SWITCH TECHNIQUE NATIONAL SCIENCE FOUNDATION 2015-04-09 US disclosed