SCHEMBL4556189

SCHEMBL4556189

Cn1cc(C([NH])=O)c(C(F)(F)F)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
STING1 Q86WV6 1/20 0.40
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
NTRK1 P04629 1/20 0.36
BACE1 P56817 4/20 0.35
BACE2 Q9Y5Z0 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
IDH1 O75874 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL353314 0.84 GAA (0.56) GAALMNAPOLBSTING1PSEN1
SCHEMBL19182678 0.84 GAA (0.56) GAALMNAPOLBSTING1PSEN1
SCHEMBL13936345 0.84 POLB (0.58) GAALMNAPOLBSTING1PSEN1
SCHEMBL974230 0.82 LMNA (0.57) GAALMNAPOLBSTING1KDM4E
Hydrochloric Acid SCHEMBL8355477 0.82 GAA (0.55) GAALMNAPOLBSTING1PSEN1
SCHEMBL970933 0.82 GAA (0.55) GAALMNAPOLBSTING1KDM4E
SCHEMBL17350744 0.82 GAA (0.55) GAALMNAPOLBSTING1KDM4E
SCHEMBL1122502 0.81 GAA (0.65) GAALMNAPOLBSTING1KDM4E
SCHEMBL13064423 0.81 GAA (0.54) GAALMNAPOLBSTING1KDM4E
SCHEMBL13019689 0.81 GAA (0.54) GAALMNAPOLBSTING1KDM4E

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-2121583-A1 HETEROARYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2009-11-25 EP disclosed
WO-2008084073-A1 HETEROARYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2008-07-17 WO disclosed