SCHEMBL8716751

SCHEMBL8716751

Cc1c(O)c(=O)ccn1CC=S

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
TP53 P04637 1/20 0.55
CYP2D6 P10635 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM6A O15550 1/20 0.50
KDM4A O75164 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM5C P41229 1/20 0.50
KDM2B Q8NHM5 1/20 0.50
DOHH Q9BU89 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
APP P05067 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
COMT P21964 2/20 0.44
MAOB P27338 9/20 0.39

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
SCHEMBL20386661 0.84 KDM4E (0.57) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL958138 0.83 KDM4E (0.55) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL2837599 0.80 KDM4E (0.53) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL5525055 0.78 KDM4E (0.62) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL13003558 0.77 KDM4E (0.60) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL4394165 0.75 KDM4E (0.58) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL22868176 0.75 HTT (0.84) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL9513592 0.75 APP (0.61) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL10359200 0.75 APP (0.61) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL5085644 0.75 KDM4E (0.58) KDM4ETP53CYP2D6HTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998025905-A2 THERAPEUTIC ANTIOXIDANTS FOR ALZHEIMER'S DISEASE CENES LIMITED (GB) 1998-06-18 WO claimed