SCHEMBL1744857

SCHEMBL1744857

O=C(O)c1cc(SSc2cccc(C(=O)O)c2[N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.74
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
GSTP1 P09211 2/20 0.42
GSTM2 P28161 2/20 0.42
BCL2L1 Q07817 1/20 0.41
GPR35 Q9HC97 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CASP6 P55212 1/20 0.38
APEX1 P27695 1/20 0.37
AKR1B1 P15121 2/20 0.37
AKR1C4 P17516 2/20 0.37

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
SCHEMBL29353295 0.86 DTYMK (1.00) DTYMKTSHRMEN1KMT2AMAPT
SCHEMBL26775 0.86 DTYMK (1.00) DTYMKTSHRMEN1KMT2AMAPT
SCHEMBL143541 0.86 DTYMK (1.00) DTYMKTSHRMEN1KMT2AMAPT
SCHEMBL29388000 0.84 DTYMK (0.97) DTYMKTSHRMEN1KMT2AMAPT
SCHEMBL8577281 0.84 DTYMK (0.97) DTYMKTSHRMEN1KMT2AMAPT
SCHEMBL30534229 0.84 POLB (0.57) DTYMKTSHRMEN1KMT2AMAPT
SCHEMBL4904 0.84 POLB (0.57) DTYMKTSHRMEN1KMT2AMAPT
SCHEMBL1043222 0.84 POLB (0.57) DTYMKTSHRMEN1KMT2AMAPT
SCHEMBL12269946 0.79 DTYMK (0.85) DTYMKMEN1KMT2AMAPTALDH1A1
SCHEMBL19885315 0.79 DTYMK (0.85) DTYMKTSHRMEN1KMT2AMAPT

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
EP-2386551-A1 Novel compounds, pharmaceutical compositions containing same, and methods of use for same Fasgen Inc. (US) 2011-11-16 EP disclosed
US-8038089-B2 Leader member in recording tape cartridge, manufacturing method thereof, and recording tape cartridge FUJIFILM CORPORATION (JP) 2011-10-18 US disclosed