SCHEMBL2412424

SCHEMBL2412424

Cc1ccc(S(=O)(=O)n2cc(CN(CC(C)(C)C)C(=O)O)cc2-c2cccnc2F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.39
CCKAR P32238 1/20 0.39
GRM4 Q14833 3/20 0.38
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NAMPT P43490 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPM8 Q7Z2W7 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
SCHEMBL2412879 0.93 PTGDR2 (0.43) PTGDR2CCKARGRM4CNR1CNR2
SCHEMBL2414742 0.90 PKM (0.35) PTGDR2CCKARCNR1CNR2ALDH1A1
SCHEMBL2415727 0.90 CHRM5 (0.37) PTGDR2CCKARCNR1CNR2ALDH1A1
SCHEMBL1278414 0.89 PTGDR2 (0.34) PTGDR2CCKARCNR1CNR2ALDH1A1
SCHEMBL2418769 0.89 HTR6 (0.37) PTGDR2ALDH1A1NPSR1TSHR
SCHEMBL5008567 0.87 GRM4 (0.41) PTGDR2CCKARGRM4CNR1CNR2
SCHEMBL1278112 0.86 PTGER2 (0.36) PTGDR2ALDH1A1TSHRSMN1; SMN2
SCHEMBL4413582 0.86 GRM4 (0.40) PTGDR2CCKARGRM4CNR1CNR2
SCHEMBL2409158 0.86 ALDH1A1 (0.40) CRHBPCRHR2CNR1ALDH1A1LMNA
SCHEMBL4413576 0.85 GRM4 (0.40) PTGDR2CCKARGRM4CNR1CNR2

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