SCHEMBL2410132

SCHEMBL2410132

CNC(=O)OC(c1cc(-c2cccnc2Cl)n(S(=O)(=O)c2ccccc2)c1)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.33
PLK1 P53350 1/20 0.33
PIK3C3 Q8NEB9 2/20 0.33
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR6 P50406 2/20 0.31
DHODH Q02127 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 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
SCHEMBL4425214 0.83 MAPT (0.33) MAPTKMT2A
SCHEMBL2409947 0.82 HTR6 (0.35) METALDH1A1HTR6
SCHEMBL2409435 0.80 MET (0.43) METHTR6LMNA
SCHEMBL4791733 0.80 PTGS2 (0.30)
SCHEMBL4416225 0.78 KAT6A (0.31)
SCHEMBL4412054 0.77 MET (0.40) METHTR6
SCHEMBL4419570 0.76 PLCG1 (0.33)
SCHEMBL4791657 0.76 FPR1 (0.31)
SCHEMBL2410874 0.75 NFE2L2 (0.35) METALDH1A1HTR6
SCHEMBL2412376 0.74 PTGDR2 (0.35) METPIK3C3MAPTCYP2C19MEN1

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