SCHEMBL2408730

SCHEMBL2408730

CNC(=O)OC(c1cn(S(=O)(=O)c2cccc(C#N)c2)c(-c2cccnc2Cl)c1F)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.35
RORC P51449 11/20 0.35
PPME1 Q9Y570 3/20 0.34
GLO1 Q04760 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
GRM5 P41594 1/20 0.31
SCN9A Q15858 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
SCHEMBL2411857 0.92 NR3C1 (0.36) NR3C1RORCPPME1GLO1SLC40A1
SCHEMBL2410874 0.90 NFE2L2 (0.35)
SCHEMBL4418740 0.88 MET (0.41) GLO1SLC40A1
SCHEMBL4425473 0.85 HTR6 (0.33) GRM5
SCHEMBL4419026 0.83 MET (0.40) GLO1SLC40A1
SCHEMBL2409994 0.83 PLCG1 (0.33)
SCHEMBL2408490 0.82 HTR6 (0.35)
SCHEMBL4425656 0.82 MET (0.39)
SCHEMBL2410027 0.80 NTRK1 (0.31)
SCHEMBL2414854 0.79 KDR (0.34)

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