SCHEMBL2412640

SCHEMBL2412640

CC(C)(C)C(Cc1cc(-c2cccnc2C#N)n(S(=O)(=O)c2ccccc2)c1)NC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.33
PLCG1 P19174 1/20 0.33
P2RX7 Q99572 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSL P07711 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
ALOX5 P09917 2/20 0.31
PTGS2 P35354 1/20 0.31
MET P08581 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL4427593 0.95 PTGDR2 (0.31) PTGDR2PLCG1
SCHEMBL2414626 0.92 PLCG1 (0.32) PLCG1P2RX7PIK3C3
SCHEMBL2409999 0.91 PTPN1 (0.33) PTGDR2PLCG1LMNA
SCHEMBL2411190 0.90 PLCG1 (0.30) PLCG1
SCHEMBL2417456 0.90 PLCG1 (0.30) PLCG1
SCHEMBL2409826 0.90 PTGDR2 (0.38) PTGDR2PLCG1P2RX7CTSLMET
SCHEMBL2406674 0.90 PTGDR2 (0.33) PTGDR2PLCG1P2RX7
SCHEMBL2410587 0.89 PTGDR2 (0.33) PTGDR2PLCG1P2RX7
SCHEMBL2410416 0.88 PTGDR2 (0.33) PTGDR2PLCG1P2RX7CTSL
SCHEMBL2410363 0.88 PKM (0.35) PLCG1LMNASMN1; SMN2RAB9A

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 3 patents. 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
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 WO disclosed