SCHEMBL9819209

SCHEMBL9819209

N#CC(C(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 1/20 0.45
RAPGEF3 O95398 3/20 0.44
RAPGEF4 Q8WZA2 2/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
PDK1 Q15118 1/20 0.41
MAPT P10636 2/20 0.41
EPHX2 P34913 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
PTGS1 P23219 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 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
SCHEMBL9819335 0.93 IDO1 (0.50) IDO1MEN1KMT2ALMNARAPGEF3
SCHEMBL9818928 0.88 EPHX2 (0.50) IDO1RAPGEF3RAPGEF4KCNQ3KCNQ2
SCHEMBL9818823 0.87 RHOC (0.49) IDO1MEN1KMT2ALMNARAPGEF3
SCHEMBL9819165 0.87 RHOC (0.49) IDO1MEN1KMT2ALMNARAPGEF3
SCHEMBL9818792 0.87 MEN1 (0.49) MEN1KMT2ALMNAKCNQ3KCNQ2
SCHEMBL9819046 0.86 NPC1 (0.55) MEN1KMT2ALMNAKCNQ3KCNQ2
SCHEMBL9819122 0.86 IDO1 (0.47) IDO1LMNARAPGEF3RAPGEF4KCNQ3
SCHEMBL9818991 0.85 IDO1 (0.49) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL9818907 0.84 MAOB (0.47) MEN1KMT2ALMNARAPGEF3RAPGEF4
SCHEMBL9819042 0.84 MAOB (0.47) MEN1KMT2ALMNARAPGEF3RAPGEF4

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
US-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 US disclosed