SCHEMBL8204855

SCHEMBL8204855

CC(NC=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
DAO P14920 1/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ACP3 P15309 1/20 0.44
PNMT P11086 1/20 0.44
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SOS1 Q07889 5/20 0.43
GPR139 Q6DWJ6 1/20 0.42
KRAS P01116 4/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL21986020 1.00 CES2 (0.48) CES2DAOMEN1LMNAPOLB
SCHEMBL6551665 0.83 XPO1 (0.38) CES2HTTSOS1KRASIDO1
SCHEMBL3256624 0.83 XPO1 (0.38) CES2HTTSOS1KRASIDO1
SCHEMBL5178541 0.83 XPO1 (0.38) CES2HTTSOS1KRASIDO1
Hydrochloric Acid SCHEMBL4564391 0.81 XPO1 (0.37) CES2HTTSOS1KRASIDO1
SCHEMBL17481894 0.80 PNMT (0.49) CES2DAOMEN1LMNAPOLB
SCHEMBL8259841 0.80 PNMT (0.49) CES2DAOMEN1LMNAPOLB
SCHEMBL12296386 0.80 PNMT (0.49) CES2DAOMEN1LMNAPOLB
SCHEMBL10087246 0.80 PNMT (0.49) CES2DAOMEN1LMNAPOLB
SCHEMBL27046485 0.78 HDAC4 (0.45) CES2GPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093851-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-25 US disclosed
EP-0735018-B1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL CO (JP) 1999-07-21 EP disclosed
US-5739401-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0735018-A1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed