SCHEMBL7758949

SCHEMBL7758949

Nc1ccc(SSc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 7/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PDE7B Q9NP56 1/20 0.47
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 6/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
ALPG P10696 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
KDM4A O75164 1/20 0.41
TDP2 O95551 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL8734150 0.86 PDE7A (0.51) PDE7ASMN1; SMN2PDE7BMAPTMEN1
SCHEMBL10923003 0.85 PDE7A (0.65) PDE7ASMN1; SMN2PDE7BMAPTMEN1
SCHEMBL224666 0.84 PDE7A (0.60) PDE7ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8989706 0.81 PDE7A (0.51) PDE7ASMN1; SMN2PDE7BMAPTMEN1
SCHEMBL11209984 0.76 PDE7A (0.56) PDE7ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11027382 0.76 PDE7A (0.56) PDE7ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11319431 0.74 PDE7A (0.55) PDE7ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11856128 0.74 KMT2A (0.78) PDE7ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2639971 0.74 MAPT (0.55) PDE7ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27271638 0.74 HSD17B10 (0.55) PDE7ASMN1; SMN2PDE7BMAPTMEN1

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-0720983-B1 Diphenyl disulfide compounds NISSHIN FLOUR MILLING CO (JP) 2001-03-14 EP disclosed
US-5698564-A INHIBIT INTERLEUKINS AND TUMOR NECROSIS FACTOR NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-12-16 US disclosed