SCHEMBL2409950

SCHEMBL2409950

CN(Cc1cc(-c2cccnc2F)n(S(=O)(=O)c2cccc(F)c2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.38
HTR2C P28335 4/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 1/20 0.38
SLC6A4 P31645 3/20 0.35
RIPK1 Q13546 1/20 0.35
KAT8 Q9H7Z6 1/20 0.34
CPB2 Q96IY4 1/20 0.34
KAT6A Q92794 1/20 0.34
KAT5 Q92993 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
DRD2 P14416 1/20 0.33
PTGER2 P43116 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
SCHEMBL31187457 0.93 KAT8 (0.35) HTR6HTR2CHTR2AHTR7SLC6A4
SCHEMBL2415723 0.93 HTR2C (0.39) HTR6HTR2CHTR2ASLC6A4KAT8
SCHEMBL2414740 0.92 HTR2C (0.37) HTR6HTR2CHTR2ASLC6A4KAT8
SCHEMBL2409152 0.92 ALDH1A1 (0.37) HTR2CSLC6A4KAT8KAT6AKAT5
SCHEMBL31187449 0.92 MET (0.42) HTR6HTR2AALDH1A1HPGDDRD2
SCHEMBL1278111 0.91 RIPK1 (0.34) HTR2CSLC6A4RIPK1KAT8KAT6A
SCHEMBL2412876 0.91 PTGDR2 (0.39) HTR2CHTR2ASLC6A4KAT8KAT6A
SCHEMBL2414119 0.90 RORC (0.37) KAT8KAT6AKAT5
SCHEMBL2409374 0.90 HTR2C (0.40) HTR2CHTR2ASLC6A4RIPK1CPB2
SCHEMBL2412420 0.89 GRM4 (0.38) HTR2CHTR2ASLC6A4KAT8KAT6A

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