SCHEMBL2412420

SCHEMBL2412420

Cc1ccc(S(=O)(=O)n2cc(CN(C)C(=O)OC(C)(C)C)cc2-c2cccnc2F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.38
KAT6A Q92794 2/20 0.35
KAT5 Q92993 2/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
CCKAR P32238 1/20 0.35
TACR1 P25103 3/20 0.34
HTR2C P28335 4/20 0.33
SLC6A4 P31645 4/20 0.33
PDK2 Q15119 1/20 0.33
HTR2A P28223 1/20 0.32
NAMPT P43490 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL2412876 0.93 PTGDR2 (0.39) GRM4KAT6AKAT5PTGDR2CCKAR
SCHEMBL2414740 0.90 HTR2C (0.37) KAT6AKAT5HTR2CSLC6A4HTR2A
SCHEMBL1278411 0.89 KAT6A (0.34) KAT6AKAT5TACR1HTR2CSLC6A4
SCHEMBL2409950 0.89 HTR6 (0.38) KAT6AKAT5HTR2CSLC6A4HTR2A
SCHEMBL2415723 0.89 HTR2C (0.39) KAT6AKAT5PTGDR2TACR1HTR2C
SCHEMBL5008567 0.88 GRM4 (0.41) GRM4PTGDR2CCKARTACR1NAMPT
SCHEMBL31187457 0.88 KAT8 (0.35) KAT6AKAT5HTR2CSLC6A4PDK2
SCHEMBL4413582 0.87 GRM4 (0.40) GRM4PTGDR2CCKARTACR1NAMPT
SCHEMBL1278111 0.87 RIPK1 (0.34) KAT6AKAT5PTGDR2TACR1HTR2C
SCHEMBL4413576 0.86 GRM4 (0.40) GRM4PTGDR2CCKARTACR1NAMPT

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
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed