SCHEMBL8516522

SCHEMBL8516522

CCN(CC)C(=O)C(OC(=O)C(F)(F)F)n1cc(-c2nc3cc(Cl)c(Cl)cc3n(CCOCCN)c2=O)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 10/20 0.33
CYP1A2 P05177 10/20 0.33
CYP3A4 P08684 8/20 0.33
CYP2C19 P33261 5/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP2C9 P11712 3/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CASP1 P29466 7/20 0.33
CASP7 P55210 7/20 0.33
TSHR P16473 3/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
HBB P68871 3/20 0.33
MAPK1 P28482 4/20 0.31
HIF1A Q16665 4/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 0.31
PTGER4 P35408 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL8516080 0.93 USP2 (0.35) USP2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8365344 0.92 ATM (0.39) USP2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8517087 0.91 USP2 (0.34) USP2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8516687 0.89 USP2 (0.33) USP2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8367898 0.85 CTSB (0.31) USP2CYP1A2CYP3A4CASP1CASP7
SCHEMBL8516657 0.85 PDE4B (0.32) POLB
SCHEMBL8365258 0.84 ALDH1A1 (0.37) USP2CYP1A2CYP3A4CYP2C19ALDH1A1
Trifluoroacetic Acid SCHEMBL8516518 0.83 USP2 (0.37) USP2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8516861 0.83 ALDH1A1 (0.36) USP2CYP1A2CYP3A4CYP2C19ALDH1A1
Trifluoroacetic Acid SCHEMBL8515856 0.82 CA12 (0.38) USP2CYP1A2CYP3A4CYP2C19ALDH1A1

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
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed