SCHEMBL11067355

SCHEMBL11067355

OCc1cnc2c(OCc3ccccc3)cccn12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.60
ATP4B P51164 3/20 0.60
PSEN1 P49768 5/20 0.49
PSEN2 P49810 5/20 0.49
APH1B Q8WW43 5/20 0.49
NCSTN Q92542 5/20 0.49
APH1A Q96BI3 5/20 0.49
PSENEN Q9NZ42 5/20 0.49
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 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
MAPK8 P45983 4/20 0.46
MAPK9 P45984 4/20 0.46

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
SCHEMBL9114744 0.84 ATP4A (0.53) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL5793857 0.83 PSEN1 (0.50) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL9748655 0.83 ATP4A (0.52) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL2193526 0.83 ATP4A (0.63) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL28460918 0.82 ATP4A (0.55) ATP4AATP4BPSEN1PSEN2APH1B
Iodide SCHEMBL9747433 0.82 ATP4A (0.51) ATP4AATP4BPSEN1PSEN2APH1B
Iodomethane SCHEMBL11069979 0.81 ATP4A (0.50) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL14290124 0.81 ATP4A (0.53) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL10535085 0.80 PSEN1 (0.50) ATP4AATP4BPSEN1PSEN2APH1B
SCHEMBL182618 0.80 ATP4A (0.54) ATP4AATP4BPSEN1PSEN2APH1B

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-4450164-A ANTIULCER AND ANTISECRETORY AGENTS SCHERING CORPORATION (US) 1984-05-22 US disclosed