SCHEMBL2409999

SCHEMBL2409999

CC(C)(C)C(Cc1cc(-c2cccnc2C#N)n(S(=O)(=O)c2ccccc2C#N)c1)NC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
ITGB1 P05556 2/20 0.32
ITGA4 P13612 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
PTGDR2 Q9Y5Y4 4/20 0.32
KLK7 P49862 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
PLCG1 P19174 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ITGB7 P26010 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
HDAC1 Q13547 1/20 0.31
MME P08473 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
SCHEMBL2414626 0.93 PLCG1 (0.32) PLCG1
SCHEMBL2406674 0.91 PTGDR2 (0.33) PTGDR2PLCG1
SCHEMBL2409826 0.91 PTGDR2 (0.38) ITGB1ITGA4PTGDR2PLCG1
SCHEMBL2412640 0.91 PTGDR2 (0.33) LMNAPTGDR2PLCG1
SCHEMBL2415541 0.87 GRM4 (0.34) LMNAPTGDR2PLCG1
Hydrochloric Acid SCHEMBL4427593 0.87 PTGDR2 (0.31) PTGDR2PLCG1
SCHEMBL2410587 0.86 PTGDR2 (0.33) PTGDR2PLCG1
SCHEMBL2410363 0.86 PKM (0.35) ITGB1ITGA4LMNAPLCG1
SCHEMBL2416580 0.86 PLCG1 (0.31) PLCG1
SCHEMBL2417456 0.85 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