SCHEMBL2410587

SCHEMBL2410587

CC(C)(C)C(Cc1cc(-c2cccnc2C#N)n(S(=O)(=O)c2c(F)cccc2F)c1)NC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
P2RX7 Q99572 2/20 0.32
EED O75530 1/20 0.32
SUZ12 Q15022 1/20 0.32
EZH2 Q15910 1/20 0.32
LGMN Q99538 2/20 0.31
PLCG1 P19174 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
SCHEMBL2406674 0.92 PTGDR2 (0.33) PTGDR2P2RX7LGMNPLCG1
SCHEMBL2415541 0.89 GRM4 (0.34) PTGDR2P2RX7LGMNPLCG1
SCHEMBL2412640 0.89 PTGDR2 (0.33) PTGDR2P2RX7PLCG1
SCHEMBL2414626 0.87 PLCG1 (0.32) P2RX7PLCG1
SCHEMBL2409999 0.86 PTPN1 (0.33) PTGDR2PLCG1
SCHEMBL2409826 0.86 PTGDR2 (0.38) PTGDR2P2RX7PLCG1
SCHEMBL2410363 0.85 PKM (0.35) PLCG1
SCHEMBL2416580 0.85 PLCG1 (0.31) PLCG1
Hydrochloric Acid SCHEMBL4427593 0.84 PTGDR2 (0.31) PTGDR2PLCG1
SCHEMBL2411190 0.84 PLCG1 (0.30) PLCG1

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