SCHEMBL11245167

SCHEMBL11245167

Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OCCCCS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPT P10636 2/20 0.40
PRSS1 P07477 4/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR4 O95977 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
SCHEMBL11241030 0.96 ALDH1A1 (0.39) ALDH1A1MAPTPRSS1HTTKDM4E
SCHEMBL11248131 0.92 ALDH1A1 (0.39) ALDH1A1MAPTPRSS1HTTKDM4E
SCHEMBL11240613 0.86 ALDH1A1 (0.45) ALDH1A1MAPTPRSS1HTTKDM4E
SCHEMBL10020311 0.83 TSHR (0.40) ALDH1A1MAPTHTTKDM4ENPC1
SCHEMBL11234648 0.82 ALDH1A1 (0.44) ALDH1A1MAPTHTTL3MBTL1KDM4E
SCHEMBL19799301 0.80 THRA (0.48) ALDH1A1MAPTPRSS1L3MBTL1GAA
SCHEMBL8765228 0.77 NPC1 (0.66) ALDH1A1MAPTHTTL3MBTL1KDM4E
SCHEMBL11240736 0.77 ALDH1A1 (0.45) ALDH1A1MAPTHTTL3MBTL1KDM4E
SCHEMBL12781087 0.77 ALDH1A1 (0.59) ALDH1A1MAPTHTTKDM4ENPC1
SCHEMBL11237040 0.77 TSHR (0.36) ALDH1A1MAPTPRSS1HTTKDM4E

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
US-4323682-A BLEACHING CATALYSTS CIBA GEIGY AG (CH) 1982-04-06 US disclosed
US-4202698-A DYE BLEACH CATALYSTS CIBA-GEIGY AG (CH) 1980-05-13 US disclosed