SCHEMBL16409697

SCHEMBL16409697

CN/N=C/c1ccc2c(c1)CCC1C2=NN(C)C1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 6/20 0.43
GAA P10253 3/20 0.43
MAPK1 P28482 2/20 0.42
MAPT P10636 7/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.37
BCHE P06276 3/20 0.32
ACHE P22303 3/20 0.32
BACE1 P56817 3/20 0.32
NR3C2 P08235 1/20 0.31
PTGS2 P35354 1/20 0.31
GCGR P47871 1/20 0.30
MEN1 O00255 1/20 0.30
MITF O75030 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19315732 0.87 KDM4E (0.44) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL16400155 0.86 KDM4E (0.49) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL16400289 0.86 KDM4E (0.49) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL16401342 0.83 LMNA (0.42) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL16401341 0.83 LMNA (0.42) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL16401052 0.83 KDM4E (0.41) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL16401050 0.83 KDM4E (0.41) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL16409626 0.81 GCGR (0.33) NPC1RAB9AGAAMAPK1BCHE
SCHEMBL16401008 0.81 KDM4E (0.52) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL16401340 0.79 NPC1 (0.39) KDM4ENPC1RAB9AALDH1A1GAA

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-2015007682-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2015-01-22 WO disclosed