SCHEMBL6529665

SCHEMBL6529665

CCOC(=O)Cc1c(C)n(S(=O)(=O)c2ccc(N(C)c3ccccc3)cc2)c2ccc(F)cc12

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.64
PTGDR Q13258 5/20 0.64
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
AVPR1B P47901 1/20 0.45
HTR6 P50406 2/20 0.44
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6529582 0.90 PTGDR2 (0.80) PTGDR2PTGDRHTR6
SCHEMBL6532462 0.84 PTGDR2 (0.69) PTGDR2PTGDR
SCHEMBL6532744 0.84 PTGDR2 (0.86) PTGDR2PTGDRHTR6
SCHEMBL6529300 0.84 PTGDR2 (0.72) PTGDR2PTGDR
SCHEMBL6533995 0.82 PTGDR2 (0.73) PTGDR2PTGDR
SCHEMBL6532747 0.82 PTGDR2 (0.73) PTGDR2PTGDRHTR6
SCHEMBL6529040 0.81 PTGDR2 (0.73) PTGDR2PTGDR
SCHEMBL6529278 0.80 PTGDR2 (0.69) PTGDR2PTGDRAVPR1B
SCHEMBL6531329 0.79 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL6531237 0.78 PTGDR2 (0.68) PTGDR2PTGDR

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
WO-2005040112-A1 COMPOUNDS WITH PGD2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2005-05-06 WO disclosed