SCHEMBL4761802

SCHEMBL4761802

c1ccc([S+](c2cccs2)c2cccs2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
HPGDS O60760 1/20 0.33
MEN1 O00255 1/20 0.33
DAO P14920 1/20 0.33
FBP1 P09467 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
G6PC1 P35575 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 1/20 0.31
NOS1 P29475 1/20 0.31
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 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
SCHEMBL246867 0.95 KMT2A (0.33) KMT2AHPGDSMEN1DAOFBP1
SCHEMBL1469936 0.89 ALDH1A1 (0.32) KMT2AHPGDSMEN1DAOALDH1A1
SCHEMBL31369338 0.87 MEN1 (0.30) KMT2AMEN1
Trifluoromethanesulfonic Acid SCHEMBL6654028 0.82 GPR3 (0.40) KMT2AMEN1
SCHEMBL12762162 0.82 FBP1 (0.39) KMT2AMEN1DAOFBP1ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL6653041 0.78 GPR3 (0.40) KMT2AMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL1470565 0.75 HDAC6 (0.37) HPGDSDAOCES1
SCHEMBL1251856 0.70 MEN1 (0.32) KMT2AHPGDSMEN1DAO
SCHEMBL4763480 0.70 ALDH1A1 (0.31) KMT2AALDH1A1HPGDHTT
SCHEMBL29515962 0.70 LTA4H (0.50) KMT2AMEN1ALDH1A1HPGD

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
JP-2008273878-A PHOTO ACID-GENERATING AGENT, AND PHOTOREACTIVE COMPOSITION SUMITOMO SEIKA CHEM CO LTD 2008-11-13 JP disclosed