SCHEMBL1701128

SCHEMBL1701128

[CH2]C(=O)c1sccc1OC(=O)C(Nc1cc(F)c(F)c(F)c1)c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
ADORA2A P29274 2/20 0.32
CNR2 P34972 1/20 0.31
ROCK2 O75116 1/20 0.31
ANPEP P15144 1/20 0.31
RAB9A P51151 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
SCHEMBL1701115 0.77 KDM4E (0.44) KDM4EMEN1KMT2AGAAHDAC4
SCHEMBL12073041 0.73 HDAC4 (0.45) KDM4EMEN1KMT2AHDAC4HDAC7
Hydrochloric Acid SCHEMBL1700922 0.72 HDAC4 (0.44) KDM4EMEN1KMT2AHDAC4HDAC7
SCHEMBL1701044 0.66 CHRM3 (0.53) MAPT
SCHEMBL1701043 0.66 CHRM3 (0.53) MAPT
SCHEMBL1695890 0.65 KDM4E (0.56) ATMKDM4EMEN1KMT2AGAA
SCHEMBL28089881 0.64 HDAC4 (0.41) ATMKDM4EMEN1KMT2AGAA
SCHEMBL2484626 0.63 KDM4E (0.47) KDM4EMEN1KMT2AHDAC4HDAC7
SCHEMBL13240783 0.63 KDM4E (0.47) KDM4EMEN1KMT2AHDAC4HDAC7
SCHEMBL13738674 0.62 MEN1 (0.41) L3MBTL1KDM4EMEN1PKMKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585459-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF Chiesi Farmaceutici S.p.A. (IT) 2013-05-01 EP disclosed
WO-2011161018-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed