SCHEMBL14780904

SCHEMBL14780904

Cc1cc(F)cc(-c2cc(C(=O)N3CNC(=O)C3)nn2-c2ccc(F)c(CI)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.36
MGLL Q99685 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
PTGS2 P35354 6/20 0.34
KDM1A O60341 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CCKAR P32238 1/20 0.33
PPP1CA P62136 1/20 0.33
ATM Q13315 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
SCHEMBL12649024 0.89 MALT1 (0.39) MALT1MGLLMEN1KMT2AMAPT
SCHEMBL1764920 0.87 MEN1 (0.43) MALT1MEN1KMT2AMAPTPTGS2
SCHEMBL14780898 0.87 MGLL (0.40) MGLLPTGS2CCKAR
SCHEMBL1765378 0.84 CCKAR (0.46) MALT1MGLLMEN1KMT2AMAPT
SCHEMBL12649166 0.84 RPA1 (0.47) MGLLPTGS2CCKAR
SCHEMBL14780897 0.83 CCKAR (0.49) MGLLPTGS2CCKAR
SCHEMBL1526038 0.79 MEN1 (0.45) MALT1MEN1KMT2AMAPTPTGS2
SCHEMBL29397883 0.79 MEN1 (0.45) MALT1MEN1KMT2AMAPTPTGS2
SCHEMBL15004266 0.78 MALT1 (0.41) MALT1MGLLMEN1KMT2AMAPT
SCHEMBL1765529 0.78 PPP1CA (0.47) MALT1MGLLMEN1KMT2AMAPT

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