SCHEMBL7744848

SCHEMBL7744848

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 4/20 0.58
GSR P00390 1/20 0.51
MAPT P10636 3/20 0.48
VCAM1 P19320 3/20 0.43
GSTP1 P09211 1/20 0.41
THRB P10828 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACHE P22303 2/20 0.38
THRA P10827 1/20 0.38
PTGS2 P35354 2/20 0.38
BCHE P06276 1/20 0.38
CYP19A1 P11511 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
SCHEMBL2061149 0.89 MAPT (0.53) TXNRD1GSRMAPTVCAM1NPSR1
SCHEMBL7033755 0.82 TXNRD1 (0.60) TXNRD1GSRMAPTVCAM1GSTP1
SCHEMBL2362856 0.78 TXNRD1 (0.54) TXNRD1GSRGSTP1THRB
SCHEMBL9453001 0.78 TXNRD1 (0.54) TXNRD1GSRGSTP1THRB
SCHEMBL7030430 0.76 MAPT (0.52) TXNRD1GSRMAPT
SCHEMBL7033936 0.76 MAPT (0.52) TXNRD1GSRMAPT
SCHEMBL2060692 0.75 MAPT (0.58) MAPTVCAM1NPSR1ACHEPTGS2
SCHEMBL22280243 0.73 TXNRD1 (1.00) TXNRD1GSRVCAM1
SCHEMBL163300 0.73 ALDH1A1 (0.57) TXNRD1GSRMAPTVCAM1NPSR1
SCHEMBL8666071 0.73 TXNRD1 (0.49) TXNRD1GSRMAPTVCAM1THRB

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-6316605-B1 FOR USE IN RECORDING MATERIALS FOR THERMAL TRANSFER RECORDING, INK JET RECORDING FUJI PHOTO FILM CO., LTD. (JP) 2001-11-13 US disclosed