SCHEMBL2412419

SCHEMBL2412419

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.36
CCKAR P32238 1/20 0.36
P2RX7 Q99572 1/20 0.34
NAMPT P43490 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
CCR4 P51679 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
SCHEMBL2412871 0.94 PTGDR2 (0.42) GRM4PTGDR2CCKARNAMPTMMP2
SCHEMBL2416815 0.91 GRM4 (0.33) GRM4PTGDR2CCKARP2RX7MMP2
SCHEMBL2415722 0.91 PTGDR2 (0.35) PTGDR2CCKARSMN1; SMN2LMNAMMP2
SCHEMBL2418766 0.90 PTGDR (0.35) PTGDR2ALDH1A1TSHRLMNA
SCHEMBL1278409 0.89 PTGDR2 (0.32) PTGDR2CCKARNAMPTMMP2MMP9
SCHEMBL1278109 0.88 FPR1 (0.34) PTGDR2ALDH1A1TSHRSMN1; SMN2
SCHEMBL2409151 0.87 ALDH1A1 (0.34) PTGDR2CCKARNAMPTALDH1A1TSHR
SCHEMBL2412112 0.87 KAT6A (0.32) PTGDR2CCKARNAMPTALDH1A1TSHR
SCHEMBL2413126 0.86
SCHEMBL2408353 0.86 SLC1A3 (0.32)

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