SCHEMBL2411599

SCHEMBL2411599

Cc1ccc(-c2cc(CC(NC(=O)O)C(C)(C)C)cn2S(=O)(=O)c2cccnc2)c(F)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.34
FPR1 P21462 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
ADAM17 P78536 1/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KAT5 Q92993 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NAMPT P43490 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 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
SCHEMBL4422719 0.95 PTGDR2 (0.33) PTGDR2FPR1HSD17B10ADAM17
SCHEMBL1278109 0.90 FPR1 (0.34) PTGDR2FPR1HSD17B10ABCC9ABCC8
SCHEMBL4422713 0.88
SCHEMBL1156216 0.88 NAMPT (0.38) PTGDR2FPR1HSD17B10GAATSHR
SCHEMBL1156935 0.88 POLB (0.39) PTGDR2FPR1HSD17B10ALDH1A1NAMPT
SCHEMBL1278508 0.88 FPR1 (0.34) PTGDR2FPR1HSD17B10ABCC9ABCC8
SCHEMBL1156473 0.86 HTT (0.40) NAMPT
SCHEMBL1157389 0.86 PTGDR2 (0.37) PTGDR2FPR1HSD17B10ALDH1A1NAMPT
SCHEMBL1278321 0.86 NAMPT (0.36) HSD17B10ADAM17TSHRSMN1; SMN2NAMPT
SCHEMBL1278605 0.86 POLB (0.34) PTGDR2FPR1HSD17B10ABCC9ABCC8

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