SCHEMBL22273345

SCHEMBL22273345

CCc1c(C(F)(F)F)nc2n1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CRHR1 P34998 4/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.34
HSD11B1 P28845 2/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL14754853 0.80 KDM4E (0.34) POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL14754842 0.76 POLB (0.39) MEN1KMT2APOLBLMNAMAPK1
SCHEMBL22330359 0.75 MEN1 (0.42) MEN1KMT2APOLBHSD11B1MAPK1
SCHEMBL22330447 0.74 MEN1 (0.41) MEN1KMT2APOLBLMNAHSD11B1
SCHEMBL13377049 0.73 SMN1; SMN2 (0.45) MEN1KMT2APOLBLMNAMAPK1
SCHEMBL16739869 0.73 MEN1 (0.36) MEN1KMT2ALMNAHSD11B1
SCHEMBL13377083 0.72 ALDH1A1 (0.47) MEN1KMT2APOLBLMNAMAPK1
SCHEMBL22166766 0.71 POLB (0.39) MEN1KMT2APOLBLMNAMAPK1
SCHEMBL27392383 0.70 POLB (0.38) POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL29876882 0.70 MEN1 (0.40) MEN1KMT2APOLBLMNAMAPK1

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-2020154683-A1 METHODS OF TREATING DISEASE WITH MAGL INHIBITORS LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-07-30 WO disclosed