SCHEMBL8370261

SCHEMBL8370261

O=C(c1ccsc1)c1no[n+]([O-])c1C(=O)c1ccsc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CATSPER1 Q8NEC5 2/20 0.63
ALDH1A1 P00352 5/20 0.60
MAPT P10636 5/20 0.60
HTT P42858 4/20 0.60
HPGD P15428 4/20 0.60
MAPK1 P28482 3/20 0.60
NPC1 O15118 2/20 0.60
HSP90AA1 P07900 2/20 0.60
RAB9A P51151 2/20 0.60
MITF O75030 1/20 0.60
LMNA P02545 3/20 0.56
TP53 P04637 3/20 0.56
HSD17B10 Q99714 3/20 0.56
PTPN7 P35236 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 1/20 0.54
DUSP3 P51452 1/20 0.54
KMT2A Q03164 1/20 0.54
PTPN22 Q9Y2R2 1/20 0.54

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
SCHEMBL1547800 0.85 MAPT (0.50) CATSPER1ALDH1A1MAPTHTTHPGD
SCHEMBL1547701 0.85 CATSPER1 (0.46) CATSPER1ALDH1A1MAPTHTTHPGD
SCHEMBL1548109 0.85 CATSPER1 (0.46) CATSPER1ALDH1A1MAPTHTTHPGD
SCHEMBL1548114 0.83 CATSPER1 (0.44) CATSPER1ALDH1A1MAPTHTTHPGD
SCHEMBL1547707 0.82 CATSPER1 (0.43) CATSPER1ALDH1A1MAPTHTTHPGD
SCHEMBL8242849 0.78 CATSPER1 (1.00) CATSPER1ALDH1A1MAPTHTTHPGD
SCHEMBL15891247 0.75 ALDH1A1 (1.00) CATSPER1ALDH1A1MAPTHTTHPGD
SCHEMBL14948955 0.73 CATSPER1 (0.82) CATSPER1ALDH1A1MAPTHTTHPGD
SCHEMBL2117370 0.72 ALDH1A1 (1.00) CATSPER1ALDH1A1MAPTHTTHPGD
SCHEMBL8251473 0.72 MAPT (0.62) CATSPER1ALDH1A1MAPTHTTHPGD

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
JP-11240874-A None JP disclosed
JP-H11240874-A DICARBONYLFUROXAN COMPOUND AND GERMICIDE FOR AGRICULTURE AND HORTICULTURE USING THE SAME AS ACTIVE INGREDIENT UBE IND LTD 1999-09-07 JP disclosed