SCHEMBL2409435

SCHEMBL2409435

CNC(=O)OC(c1cc(-c2cccnc2F)n(S(=O)(=O)c2cccc(OC)c2)c1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.43
HTR6 P50406 6/20 0.35
NFE2L2 Q16236 2/20 0.35
GLO1 Q04760 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
KAT8 Q9H7Z6 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
FGFR4 P22455 2/20 0.33
DRD2 P14416 1/20 0.33
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
GPR183 P32249 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4412054 0.96 MET (0.40) METHTR6NFE2L2GLO1SLC40A1
SCHEMBL2409947 0.91 HTR6 (0.35) METHTR6DRD2
SCHEMBL4425214 0.88 MAPT (0.33)
SCHEMBL4791733 0.85 PTGS2 (0.30)
SCHEMBL4416225 0.85 KAT6A (0.31) KAT6A
SCHEMBL4418740 0.81 MET (0.41) METHTR6NFE2L2GLO1SLC40A1
SCHEMBL2407640 0.80 MET (0.39) METHTR6NFE2L2ABCC9ABCC8
SCHEMBL2410132 0.80 MET (0.33) METHTR6LMNA
SCHEMBL2412359 0.79 MET (0.40) METHTR6NFE2L2GLO1SLC40A1
SCHEMBL4419026 0.79 MET (0.40) METHTR6NFE2L2GLO1SLC40A1

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