SCHEMBL4654701

SCHEMBL4654701

CCCCCCCCS(=O)(=O)O.O=[N+]([O-])c1ccc(-c2ccccc2I)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ASAH2 Q9NR71 1/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MGLL Q99685 1/20 0.40
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGS2 P35354 2/20 0.38
KCNH2 Q12809 1/20 0.37
LMNA P02545 1/20 0.35
C1R P00736 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL4654653 0.81 HDAC4 (0.41) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
Nitrobenzene SCHEMBL27647755 0.81 ALDH1A1 (0.50) ASAH2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4654640 0.78 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHPGD
Nitrobenzene SCHEMBL27685600 0.77 LMNA (0.46) ASAH2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4654801 0.76 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
Trifluoromethanesulfonic Acid SCHEMBL3987054 0.76 PTGS2 (0.40) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4653600 0.76 PTPN11 (0.47) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
Fluoride SCHEMBL27459357 0.75 TRPV1 (0.37) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2902276 0.74 ELANE (0.37) ALDH1A1
SCHEMBL4654720 0.73 PTGS2 (0.38) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640804-B1 Positive-tone radiation-sensitive resin composition JSR CORP (JP) 2008-11-19 EP disclosed
US-7335457-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2008-02-26 US disclosed
US-20060078821-A1 A caroboxyalkylanthracene based compound, a hydroxy or alkoxystyrene polymer, and a sulfonimide compound as photoacid generator; low sublimation properties and excellent compatibility with other components; exhibits optimum controllability of radiation transmittance; microfabrication JSR CORPORATION (JP) 2006-04-13 US disclosed
EP-1640804-A2 Positive-tone radiation-sensitive resin composition JSR Corporation (JP) 2006-03-29 EP disclosed