SCHEMBL5529284

SCHEMBL5529284

OC(=S)CCc1nsc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
CMA1 P23946 1/20 0.44
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EPAS1 Q99814 5/20 0.40
TP53 P04637 1/20 0.33
MMP13 P45452 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL27365407 0.83 CMA1 (0.56) ACHECMA1MAPTKDM4EALDH1A1
SCHEMBL7432743 0.78 CMA1 (0.54) ACHECMA1MAPTKDM4EALDH1A1
SCHEMBL7435913 0.76 KDM4E (0.44) ACHECMA1MAPTKDM4EALDH1A1
SCHEMBL31556099 0.75 KDM4E (0.52) ACHECMA1MAPTKDM4EALDH1A1
SCHEMBL31561724 0.75 KDM4E (0.47) ACHECMA1MAPTKDM4EALDH1A1
SCHEMBL28202495 0.75 KDM4E (0.47) ACHECMA1MAPTKDM4EALDH1A1
SCHEMBL8371416 0.74 MAPT (0.50) ACHECMA1MAPTKDM4EALDH1A1
SCHEMBL19141271 0.74 KDM4E (0.50) ACHECMA1MAPTKDM4EALDH1A1
SCHEMBL476295 0.72 MAPT (0.44) ACHECMA1MAPTKDM4EALDH1A1
SCHEMBL6985067 0.72 CMA1 (0.52) ACHECMA1MAPTKDM4EALDH1A1

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-20070145334-A1 Volatile corrosion inhibitor and molding material and molded article using the same CHUBU CHELEST CO., LTD. (JP) 2007-06-28 US claimed
US-20070145334-A1 Volatile corrosion inhibitor and molding material and molded article using the same CHUBU CHELEST CO., LTD. (JP) 2007-06-28 US disclosed