SCHEMBL16627194

SCHEMBL16627194

CC(=O)NC(CSSc1nc2ccccc2s1)C(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN9A Q15858 1/20 0.50
CA9 Q16790 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL16625024 0.85 FBP1 (0.54) MAPTSMN1; SMN2HPGDFBP1ALDH1A1
SCHEMBL16627245 0.84 ALDH1A1 (0.45) MAPTHPGDFBP1ALDH1A1POLB
SCHEMBL16625017 0.82 FBP1 (0.51) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL16625019 0.82 TACR3 (0.43) MAPTHPGDFBP1ALDH1A1POLB
SCHEMBL9915143 0.77 CA12 (0.65) CA12CA1CA2CA3CA4
SCHEMBL16625021 0.74 FBP1 (0.49) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL16625026 0.73 CYP26A1 (0.48) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL10645293 0.72 L3MBTL1 (0.53) L3MBTL1MAPTKDM4ENPC1RAB9A
SCHEMBL10643683 0.72 L3MBTL1 (0.55) L3MBTL1MAPTKDM4ENPC1RAB9A
SCHEMBL8081009 0.70 FBP1 (0.66) L3MBTL1MAPTSMN1; SMN2HPGDFBP1

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