SCHEMBL2415541

SCHEMBL2415541

CC(C)(C)C(Cc1cc(-c2cccnc2C#N)n(S(=O)(=O)c2ccc(F)cc2F)c1)NC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.34
PPME1 Q9Y570 1/20 0.34
NR3C2 P08235 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
P2RX7 Q99572 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
LMNA P02545 1/20 0.32
LGMN Q99538 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CTSB P07858 1/20 0.31
PLCG1 P19174 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
ALOX5AP P20292 2/20 0.30
FEN1 P39748 2/20 0.30
AR P10275 1/20 0.30
KAT6A Q92794 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
SCHEMBL2406674 0.92 PTGDR2 (0.33) NR3C2P2RX7PTGDR2LGMNPLCG1
SCHEMBL2410587 0.89 PTGDR2 (0.33) P2RX7PTGDR2LGMNPLCG1
SCHEMBL2414626 0.87 PLCG1 (0.32) NR3C2PIK3C3P2RX7PLCG1
SCHEMBL2412640 0.87 PTGDR2 (0.33) PIK3C3P2RX7PTGDR2LMNAMEN1
SCHEMBL2409999 0.87 PTPN1 (0.33) PTGDR2LMNAPLCG1
SCHEMBL2409826 0.86 PTGDR2 (0.38) GRM4NR3C2P2RX7PTGDR2CTSB
SCHEMBL2410363 0.84 PKM (0.35) LMNAPLCG1
SCHEMBL2416580 0.84 PLCG1 (0.31) PLCG1
SCHEMBL4999119 0.83 GRM4 (0.37) GRM4PPME1NR3C2PIK3C3PTGDR2
Hydrochloric Acid SCHEMBL4427593 0.83 PTGDR2 (0.31) PTGDR2PLCG1

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