SCHEMBL765028

SCHEMBL765028

O=C1NCC(C(=O)c2occc2Cc2ccc(F)cc2)=C1O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
CNR2 P34972 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL752745 0.87 HSP90AA1 (0.31) HSP90AA1HCAR2MAPTMEN1KMT2A
SCHEMBL765747 0.81
SCHEMBL12206965 0.79 HSP90AA1 (0.35) HSP90AA1CNR2GPR55LIPGHCAR2
SCHEMBL2489939 0.78 LIPG (0.49) HSP90AA1LIPG
SCHEMBL752052 0.77 POLB (0.39) CNR2GPR55MAPTRXFP1LMNA
SCHEMBL752993 0.76 LIPG (0.40) HSP90AA1CNR2GPR55LIPGMAPT
SCHEMBL752956 0.75 LIPG (0.39) HSP90AA1LIPGMEN1KMT2ARXFP1
SCHEMBL753282 0.75 LIPG (0.37) HSP90AA1CNR2GPR55LIPGMAPT
SCHEMBL754893 0.72 KMT2A (0.50) HSP90AA1KMT2ALMNAMAPK1CASP3
SCHEMBL754854 0.72 HSP90AA1 (0.35) HSP90AA1LIPGMEN1KMT2ARXFP1

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-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed