SCHEMBL7386231

SCHEMBL7386231

O=C(O)C1(N(CCOC2CCCCO2)S(=O)(=O)c2ccc3c(Cl)cnc(Cl)c3c2)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAU P00749 16/20 0.53
PLG P00747 6/20 0.53
PLAT P00750 4/20 0.53
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6433817 0.90 PLAU (0.44) PLAUPLGPLATMEN1KMT2A
SCHEMBL6436546 0.88 PLAU (0.51) PLAUPLGPLATMEN1KMT2A
SCHEMBL6439004 0.81 PLAU (0.46) PLAUPLGPLATKDM4CNPC1
SCHEMBL6433372 0.80 PLAU (0.44) PLAUPLGPLAT
SCHEMBL7369983 0.78 PLAU (0.40) PLAUPLGPLATMEN1KMT2A
SCHEMBL7369989 0.77 PLAU (0.40) PLAUPLGPLATKDM4C
Bicarbonate SCHEMBL6977567 0.73 PLAU (0.41) PLAUPLGPLATMEN1KMT2A
SCHEMBL6433629 0.71 PLAU (0.62) PLAUPLGPLATKMT2A
Hydrochloric Acid SCHEMBL6433824 0.71 PLAU (0.64) PLAUPLGPLAT
SCHEMBL6977689 0.71 PLAU (0.36) PLAUPLGPLATKDM4CNPC1

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-6093731-A Isoquinolines PFIZER INC. 2000-07-25 US disclosed