SCHEMBL8577281

SCHEMBL8577281

O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-].O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-].O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-].O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-].[S-2].[S-2]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.97
CASP6 P55212 1/20 0.47
TSHR P16473 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
HSP90AA1 P07900 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
BCL2L1 Q07817 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
GSTP1 P09211 1/20 0.39

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
SCHEMBL143541 0.98 DTYMK (1.00) DTYMKCASP6TSHRMEN1KMT2A
SCHEMBL26775 0.98 DTYMK (1.00) DTYMKCASP6TSHRMEN1KMT2A
SCHEMBL29353295 0.98 DTYMK (1.00) DTYMKCASP6TSHRMEN1KMT2A
SCHEMBL29388000 0.97 DTYMK (0.97) DTYMKCASP6TSHRMEN1KMT2A
SCHEMBL19885315 0.91 DTYMK (0.85) DTYMKCASP6TSHRMEN1KMT2A
SCHEMBL12269946 0.91 DTYMK (0.85) DTYMKCASP6MEN1KMT2APOLB
SCHEMBL16489112 0.89 DTYMK (0.82) DTYMKCASP6TSHRMEN1KMT2A
SCHEMBL10883375 0.89 DTYMK (0.82) DTYMKCASP6TSHRMEN1KMT2A
SCHEMBL13715527 0.89 DTYMK (0.82) DTYMKCASP6TSHRMEN1KMT2A
SCHEMBL7522507 0.88 DTYMK (0.80) DTYMKCASP6TSHRMEN1KMT2A

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-5786457-A COMPLEXES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1998-07-28 US disclosed