SCHEMBL11070546

SCHEMBL11070546

Cc1nc2c(CCc3ccccc3)cccn2c1N=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 9/20 0.66
ATP4B P51164 9/20 0.66
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR6 P50406 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL11004320 0.81 ATP4A (0.43) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL2191092 0.80 ATP4A (1.00) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL11112221 0.78 ATP4A (0.45) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL2193550 0.77 ATP4A (0.73) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL10917761 0.77 ATP4A (0.67) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL2192235 0.75 ATP4A (0.64) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL2191115 0.75 ATP4A (1.00) ATP4AATP4BMEN1KMT2ACYP1A2
SCHEMBL8131625 0.75 ATP4A (0.60) ATP4AATP4BCYP3A4CYP2C9MAPK1
SCHEMBL11275143 0.72 ATP4A (0.59) ATP4AATP4BMEN1KMT2AMAPK1
SCHEMBL10920093 0.71 ATP4A (0.69) ATP4AATP4BMEN1KMT2ACYP3A4

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 claimed