SCHEMBL5477604

SCHEMBL5477604

O=C(O)CCSSc1cc([N+](=O)[O-])ccn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
CYP1A2 P05177 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 1/20 0.37
SLC2A1 P11166 1/20 0.37
TBXAS1 P24557 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5317747 0.91 HDAC1 (0.44) ALDH1A1MAPTCYP1A2CYSLTR2CYSLTR1
SCHEMBL10346418 0.80 HSP90AA1 (0.46) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL16247191 0.79 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2HDAC1HDAC2
SCHEMBL29528196 0.79 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2HDAC1HDAC2
Alcohol SCHEMBL15285492 0.78 KMT2A (0.41) ALDH1A1MAPTMEN1KMT2AGAA
Hydrogen Sulfide SCHEMBL21332270 0.78 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2HDAC1HDAC2
SCHEMBL21332271 0.77 MAPT (0.48) ALDH1A1MAPTCYP1A2HDAC1HDAC2
SCHEMBL29232458 0.74 HSP90AA1 (0.53) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9450473 0.73 KDM4E (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6103872 0.73 MAPT (0.52) ALDH1A1MAPTMEN1KMT2ASLC2A1

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
US-20070281036-A1 System and method of delivering a desired material to a cell UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2007-12-06 US disclosed