SCHEMBL2409375

SCHEMBL2409375

CC(C)(C)CN(Cc1cc(-c2cccnc2F)n(S(=O)(=O)c2cc(F)ccc2F)c1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.33
CCKAR P32238 1/20 0.33
DHODH Q02127 1/20 0.32
RECQL P46063 1/20 0.32
PTPN1 P18031 1/20 0.32
PKM P14618 2/20 0.31
HTR6 P50406 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
SOAT1 P35610 1/20 0.31
KIF11 P52732 1/20 0.31

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
Hydrochloric Acid SCHEMBL4413099 0.94 RECQL (0.33) POLBRECQLHTR6
SCHEMBL2414742 0.90 PKM (0.35) PTGDR2CCKARPKMHTR6
SCHEMBL2408624 0.90 L3MBTL1 (0.33) PTGDR2CCKAR
SCHEMBL2418769 0.90 HTR6 (0.37) PTGDR2PKMHTR6
SCHEMBL2412879 0.89 PTGDR2 (0.43) PTGDR2CCKARHTR6
SCHEMBL2415727 0.88 CHRM5 (0.37) PTGDR2CCKARHTR6
SCHEMBL2412446 0.87 POLB (0.37) POLBPTGDR2CCKARDHODHRECQL
SCHEMBL2415547 0.86 PPME1 (0.35) PTGDR2HTR6
SCHEMBL2412424 0.85 PTGDR2 (0.39) PTGDR2CCKAR
SCHEMBL1278112 0.85 PTGER2 (0.36) PTGDR2PKM

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