SCHEMBL11113214

SCHEMBL11113214

Cc1cc(OCc2ccccc2)c2nc(C)c(C)n2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.48
ATP4B P51164 4/20 0.48
STAT3 P40763 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
BRD4 O60885 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE10A Q9Y233 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
SCHEMBL11107482 0.80 ATP4A (0.52) ATP4AATP4BSTAT3HTTSMN1; SMN2
SCHEMBL25151340 0.78 STAT3 (0.47) ATP4AATP4BSTAT3HTTSMN1; SMN2
SCHEMBL5212872 0.74 ATP4A (0.52) ATP4AATP4BSTAT3HTTSMN1; SMN2
SCHEMBL5034255 0.73 ATP4A (0.51) ATP4AATP4BSTAT3HTTSMN1; SMN2
SCHEMBL5216426 0.73 ATP4A (0.58) ATP4AATP4BSTAT3HTTSMN1; SMN2
SCHEMBL2193469 0.72 ATP4A (0.76) ATP4AATP4BSTAT3HTTSMN1; SMN2
SCHEMBL4591666 0.71 ATP4A (0.50) ATP4AATP4BSTAT3HTTSMN1; SMN2
SCHEMBL9134502 0.70 HTT (0.54) ATP4AATP4BSTAT3HTTSMN1; SMN2
SCHEMBL5381408 0.69 SMN1; SMN2 (0.54) STAT3HTTSMN1; SMN2MAPK1MEN1
SCHEMBL21636964 0.69 HTT (0.44) ATP4AATP4BSTAT3HTTSMN1; 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
US-4464372-A ANTIULCER SCHERING CORPORATION (US) 1984-08-07 US disclosed