SCHEMBL2414830

SCHEMBL2414830

CC(C)(C)CN(Cc1cn(S(=O)(=O)c2ccccc2C#N)c(-c2cccnc2F)c1F)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.34
RORC P51449 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
CFTR P13569 1/20 0.32
HSD11B1 P28845 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
NR1H3 Q13133 1/20 0.31
KLK7 P49862 1/20 0.31
CTSK P43235 1/20 0.30
SLC40A1 Q9NP59 1/20 0.30
HTT P42858 1/20 0.30
CYP11B2 P19099 1/20 0.30

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 SCHEMBL4422687 0.95 PTGDR2 (0.31) PTGDR2RORCKDM2BCFTR
SCHEMBL2410285 0.90 PTGDR2 (0.33) PTGDR2
SCHEMBL2409056 0.88 KDM2B (0.35) PTGDR2RORCKDM2BCFTRHSD11B1
SCHEMBL1834429 0.88 PTGDR2 (0.32) PTGDR2
SCHEMBL2412162 0.86 PTGDR2 (0.32) PTGDR2
SCHEMBL2410517 0.85 DHODH (0.31) PTGDR2
SCHEMBL2411094 0.85 PTGDR2 (0.30) PTGDR2
SCHEMBL2410118 0.85 PPME1 (0.35) PTGDR2RORCNR1H3SLC40A1
SCHEMBL2410603 0.84 HTR6 (0.33) PTGDR2CTSK
SCHEMBL2414690 0.84 HTR6 (0.32) PTGDR2

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