SCHEMBL7994472

SCHEMBL7994472

Cc1c(Cn2cnc3ncncc32)cccc1SCCN(C(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LTA4H P09960 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL7994551 0.87 HDAC1 (0.39) HDAC1HDAC6LTA4HADAMTS5HTT
SCHEMBL7994486 0.81 HDAC6 (0.41) HDAC1HDAC6LTA4HMEN1ALDH1A1
SCHEMBL7997738 0.79 LMNA (0.41) HDAC1HDAC6LTA4HHTTMEN1
SCHEMBL7984361 0.76 SMN1; SMN2 (0.36) HTTALDH1A1
SCHEMBL7998619 0.76 TP53 (0.35) ALDH1A1
SCHEMBL7994388 0.75 SMN1; SMN2 (0.40) HTTMEN1ALDH1A1KMT2A
SCHEMBL7984069 0.74 SMN1; SMN2 (0.39) HTTMEN1ALDH1A1KMT2A
SCHEMBL7994556 0.68 HDAC1 (0.41) HDAC1HDAC6LTA4HMEN1ALDH1A1
SCHEMBL7997378 0.66 LMNA (0.41) HDAC1HDAC6LTA4HHTTMEN1
SCHEMBL7996157 0.65 CYP11B1 (0.52) HTTMEN1ALDH1A1KMT2ACYP11B1

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-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO claimed