SCHEMBL2414740

SCHEMBL2414740

CN(Cc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccc(F)cc2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.37
SLC6A4 P31645 3/20 0.37
KAT6A Q92794 2/20 0.35
KAT5 Q92993 2/20 0.35
HTR2A P28223 1/20 0.35
HTR6 P50406 2/20 0.34
KMT2A Q03164 1/20 0.34
RORC P51449 6/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
GRM2 Q14416 1/20 0.33
PKM P14618 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
SCHEMBL2415723 0.94 HTR2C (0.39) HTR2CSLC6A4KAT6AKAT5HTR2A
SCHEMBL2409950 0.92 HTR6 (0.38) HTR2CSLC6A4KAT6AKAT5HTR2A
SCHEMBL2412876 0.91 PTGDR2 (0.39) HTR2CSLC6A4KAT6AKAT5HTR2A
SCHEMBL1278411 0.91 KAT6A (0.34) HTR2CSLC6A4KAT6AKAT5HTR2A
SCHEMBL2409374 0.90 HTR2C (0.40) HTR2CSLC6A4KAT6AKAT5HTR2A
SCHEMBL2412420 0.90 GRM4 (0.38) HTR2CSLC6A4KAT6AKAT5HTR2A
SCHEMBL1278111 0.90 RIPK1 (0.34) HTR2CSLC6A4KAT6AKAT5KAT8
SCHEMBL31187457 0.89 KAT8 (0.35) HTR2CSLC6A4KAT6AKAT5HTR2A
SCHEMBL1278688 0.88 KAT6A (0.33) HTR2CSLC6A4KAT6AKAT5RORC
SCHEMBL2413127 0.88 HTR2C (0.33) HTR2CSLC6A4KAT6AKAT5HTR2A

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