SCHEMBL2411207

SCHEMBL2411207

CN(Cc1cn(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c(-c2cccnc2F)c1F)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
KEAP1 Q14145 1/20 0.38
MMP8 P22894 3/20 0.36
MMP3 P08254 1/20 0.36
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
FFAR1 O14842 2/20 0.35
KAT6A Q92794 1/20 0.35
KAT5 Q92993 1/20 0.35
ADAMTS4 O75173 2/20 0.35
MMP13 P45452 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGES O14684 1/20 0.35
KCNH2 Q12809 1/20 0.35
AR P10275 2/20 0.34
NOX1 Q9Y5S8 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL4422173 0.90 HTR6 (0.42) HTR6KEAP1MMP8MMP3FFAR1
SCHEMBL2409441 0.90 HTR2C (0.35) HTR6MMP8HTR2CSLC6A4KAT6A
SCHEMBL2408606 0.85 TDP1 (0.37) HTR2CSLC6A4
SCHEMBL2411210 0.85 HTR6 (0.38) HTR6KEAP1MMP8MMP3FFAR1
SCHEMBL4566561 0.85 HTR6 (0.40) HTR6KEAP1MMP8MMP3FFAR1
SCHEMBL1833792 0.85 KAT6A (0.32) MMP8HTR2CSLC6A4KAT6AKAT5
SCHEMBL2415887 0.84 HTR2C (0.34) HTR2CSLC6A4KAT6AKAT5
SCHEMBL2409035 0.84 HTR2C (0.35) HTR2CSLC6A4KAT6AKAT5
Hydrochloric Acid SCHEMBL4424124 0.84 KAT6A (0.34) HTR2CSLC6A4KAT6AKAT5
SCHEMBL2412417 0.84 HTR2C (0.35) HTR6HTR2CSLC6A4KAT6AKAT5

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