SCHEMBL3703553

SCHEMBL3703553

CC(C)CC(C(=O)O)n1cc(C(F)(F)F)ncc1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
GCK P35557 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCL1 Q07820 2/20 0.32
MAPK8 P45983 1/20 0.32
LMNA P02545 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
GRN P28799 2/20 0.32
SORT1 Q99523 2/20 0.32
ACHE P22303 1/20 0.32
RXRA P19793 1/20 0.32
BCL2 P10415 1/20 0.32
BCL2L2 Q92843 1/20 0.32

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
SCHEMBL13244570 0.90 GCK (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1741637 0.86 ALDH1A1 (0.34) GCK
SCHEMBL1741636 0.86 ALDH1A1 (0.34) GCK
SCHEMBL1740197 0.79 GCK (0.54) GCK
SCHEMBL3017083 0.78 GCK (0.48) GCK
SCHEMBL3702379 0.78 GCK (0.46) GCK
SCHEMBL3017123 0.78 GCK (0.48) GCK
SCHEMBL23256558 0.75 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13244571 0.72 GCK (0.41) GCKKMT2ASMN1; SMN2LMNA
SCHEMBL21459640 0.72 ALDH1A1 (0.38) GCKSMN1; SMN2MCL1BCL2BCL2L2

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-2010084428-A1 SUBSTITUTED PYRAZINONE AMIDES PFIZER INC. (US) 2010-07-29 WO disclosed