SCHEMBL14780898

SCHEMBL14780898

Cc1cc(F)cc(-c2cc(C(=O)N3CNC(=O)C3)nn2-c2cccc(CI)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.40
RPA1 P27694 1/20 0.37
PTGS2 P35354 2/20 0.36
SLC5A1 P13866 8/20 0.36
CCKAR P32238 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL12649166 0.90 RPA1 (0.47) MGLLRPA1PTGS2SLC5A1CCKAR
SCHEMBL1765378 0.88 CCKAR (0.46) MGLLRPA1PTGS2SLC5A1CCKAR
SCHEMBL14780904 0.87 MALT1 (0.36) MGLLPTGS2CCKAR
SCHEMBL12649024 0.84 MALT1 (0.39) MGLLPTGS2CCKAR
SCHEMBL1764920 0.82 MEN1 (0.43) RPA1PTGS2CCKAR
SCHEMBL1765529 0.81 PPP1CA (0.47) MGLLPTGS2SLC5A1CCKAR
SCHEMBL1765351 0.80 PPP1CA (0.46) MGLLPTGS2SLC5A1CCKAR
SCHEMBL14780914 0.79 SLC5A1 (0.42) MGLLPTGS2SLC5A1CCKAR
SCHEMBL1764979 0.77 CCKAR (0.51) MGLLRPA1PTGS2SLC5A1CCKAR
SCHEMBL1765030 0.77 KDM1A (0.45) MGLLPTGS2

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