SCHEMBL16625012

SCHEMBL16625012

O=C(O)CS(=O)(=O)c1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
MAPT P10636 5/20 0.60
HTT P42858 5/20 0.60
KMT2A Q03164 5/20 0.60
LMNA P02545 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MEN1 O00255 1/20 0.60
PSMB8 P28062 1/20 0.58
PSMB5 P28074 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
CA7 P43166 1/20 0.57
CA14 Q9ULX7 1/20 0.57
SMN1; SMN2 Q16637 8/20 0.55
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 1/20 0.49

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
SCHEMBL7905772 0.82 ALDH1A1 (0.65) ALDH1A1MAPTHTTKMT2ALMNA
SCHEMBL20566310 0.81 SMN1; SMN2 (0.57) ALDH1A1MAPTHTTKMT2ALMNA
SCHEMBL13164434 0.80 SMN1; SMN2 (0.56) ALDH1A1MAPTHTTKMT2ALMNA
SCHEMBL3595617 0.80 ALDH1A1 (0.67) ALDH1A1MAPTHTTKMT2ALMNA
SCHEMBL30149949 0.80 ALDH1A1 (0.67) ALDH1A1MAPTHTTKMT2ALMNA
SCHEMBL9636277 0.79 ALDH1A1 (0.65) ALDH1A1MAPTHTTKMT2ALMNA
SCHEMBL28000437 0.79 PSMB8 (0.69) ALDH1A1MAPTHTTKMT2ALMNA
SCHEMBL30732411 0.79 PSMB8 (0.69) ALDH1A1MAPTHTTKMT2ALMNA
SCHEMBL7646253 0.79 ALDH1A1 (0.65) ALDH1A1MAPTHTTKMT2ALMNA
Benzene SCHEMBL28000606 0.78 PSMB8 (0.72) ALDH1A1MAPTHTTKMT2ALMNA

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 4 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-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
US-20150099305-A1 DETECTION OF PROTEIN S-SULFHYDRATION VIA A TAG-SWITCH TECHNIQUE NATIONAL SCIENCE FOUNDATION 2015-04-09 US disclosed