SCHEMBL14780897

SCHEMBL14780897

COc1cccc(-c2cc(C(=O)N3CNC(=O)C3)nn2-c2ccc(F)c(CI)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 1/20 0.49
PTGS2 P35354 2/20 0.47
SLC5A1 P13866 9/20 0.41
MGLL Q99685 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
RPA1 P27694 1/20 0.39
SLC16A3 O15427 2/20 0.39
SLC16A1 P53985 2/20 0.39
MCTS1 Q9ULC4 2/20 0.39
NSD2 O96028 1/20 0.38
NSD1 Q96L73 1/20 0.38
NSD3 Q9BZ95 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
HPSE Q9Y251 1/20 0.38
FAAH O00519 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL12649164 0.89 CCKAR (0.53) CCKARPTGS2SLC5A1MGLLCA1
SCHEMBL1765417 0.88 CCKAR (0.55) CCKARPTGS2SLC5A1RPA1SLC16A3
SCHEMBL1765260 0.85 CCKAR (0.50) CCKARPTGS2SLC5A1RPA1NSD2
SCHEMBL1765517 0.85 CCKAR (0.63) CCKARPTGS2SLC5A1RPA1SLC16A3
SCHEMBL14780904 0.83 MALT1 (0.36) CCKARPTGS2MGLL
SCHEMBL1764881 0.79 CCKAR (0.43) CCKARPTGS2SLC5A1RPA1
SCHEMBL15004300 0.79 RPA1 (0.45) CCKARPTGS2MGLLRPA1
SCHEMBL1764979 0.79 CCKAR (0.51) CCKARPTGS2SLC5A1MGLLRPA1
SCHEMBL1765034 0.78 SLC5A1 (0.49) SLC5A1
SCHEMBL1764936 0.78 RPA1 (0.44) CCKARPTGS2SLC5A1MGLLRPA1

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-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed