SCHEMBL11107482

SCHEMBL11107482

Cc1nc2c(OCc3ccccc3)ccnn2c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 5/20 0.52
ATP4B P51164 5/20 0.52
CYP1A2 P05177 3/20 0.48
MAPK1 P28482 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
MEN1 O00255 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BRD4 O60885 4/20 0.43
CYP2C19 P33261 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
SCHEMBL11105051 0.86 ATP4A (0.63) ATP4AATP4BCYP1A2MAPK1CYP3A4
SCHEMBL11104476 0.86 ATP4A (0.50) ATP4AATP4BCYP1A2MAPK1CYP3A4
SCHEMBL11109084 0.84 ATP4A (0.48) ATP4AATP4BCYP1A2MAPK1CYP3A4
SCHEMBL11101851 0.82 ATP4A (0.66) ATP4AATP4BCYP1A2MAPK1CYP3A4
SCHEMBL11113214 0.80 ATP4A (0.48) ATP4AATP4BCYP1A2MAPK1CYP3A4
SCHEMBL11107761 0.78 LTA4H (0.50) ATP4AATP4BCYP1A2MAPK1CYP3A4
SCHEMBL2193469 0.76 ATP4A (0.76) ATP4AATP4BCYP1A2MAPK1CYP3A4
SCHEMBL11106437 0.72 MAPK14 (0.45) ATP4AATP4BCYP1A2MAPK1CYP3A4
SCHEMBL10918911 0.69 ATP4A (0.76) ATP4AATP4BCYP1A2MAPK1CYP3A4
SCHEMBL8816284 0.69 ATP4A (0.74) ATP4AATP4BCYP1A2MAPK1CYP3A4

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