SCHEMBL3962084

SCHEMBL3962084

CCOC(=O)Cc1c(C)c(Cc2cccc(F)c2S(=O)(=O)c2ccc(F)cc2)n2cc(C#N)ccc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.39
PTGS2 P35354 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR6 P50406 1/20 0.32
PTGS1 P23219 1/20 0.32
GAA P10253 3/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
KDM4E B2RXH2 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
SCHEMBL3967747 0.90 PTGDR2 (0.46) PTGDR2
SCHEMBL3969463 0.89 PTGDR2 (0.47) PTGDR2PTGS2MEN1KMT2A
SCHEMBL3968970 0.88 PTGDR2 (0.46) PTGDR2PTGS2MEN1KMT2AGAA
SCHEMBL3962109 0.86 PTGDR2 (0.39) PTGDR2PTGS2MEN1KMT2AGAA
SCHEMBL3968018 0.85 PTGDR2 (0.39) PTGDR2PTGS2MEN1KMT2AGAA
SCHEMBL3968252 0.85 PTGDR2 (0.38) PTGDR2PTGS2MEN1KMT2APTGS1
SCHEMBL3962099 0.83 PTGDR2 (0.40) PTGDR2PTGS2HTR6PTGS1GAA
SCHEMBL3972653 0.83 PTGDR2 (0.42) PTGDR2PTGS2MEN1KMT2AGAA
SCHEMBL3965620 0.82 PTGDR2 (0.54) PTGDR2HTR6
SCHEMBL3969206 0.81 SLC6A4 (0.37) PTGDR2PTGS2MEN1KMT2APTGS1

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-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed