SCHEMBL8149111

SCHEMBL8149111

COc1nn(C)c(=O)n1-c1ccccc1CON=C(C#N)C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CES2 O00748 1/20 0.34
CTSL P07711 1/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAOB P27338 1/20 0.33
TBXA2R P21731 7/20 0.33
TBXAS1 P24557 6/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 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
SCHEMBL8149110 1.00 LMNA (0.38) LMNAMAPTMEN1NPC1RAB9A
SCHEMBL119998 0.86 KMT2A (0.37) LMNAMAPTMEN1NPC1RAB9A
SCHEMBL119997 0.86 KMT2A (0.37) LMNAMAPTMEN1NPC1RAB9A
SCHEMBL959562 0.86 KMT2A (0.37) LMNAMAPTMEN1NPC1RAB9A
SCHEMBL32678199 0.86 KMT2A (0.37) LMNAMAPTMEN1NPC1RAB9A
SCHEMBL29870686 0.86 KMT2A (0.37) LMNAMAPTMEN1NPC1RAB9A
SCHEMBL8155257 0.84 GAA (0.34) LMNAMAPTMEN1NPC1RAB9A
SCHEMBL8155255 0.84 GAA (0.34) LMNAMAPTMEN1NPC1RAB9A
SCHEMBL8147682 0.80 TDP1 (0.37) LMNAMAPTKMT2AGAATSHR
SCHEMBL8147257 0.80 TSHR (0.33) GAATSHRSMN1; SMN2

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-6057352-A CONTROLLING PLANT DISEASES CAUSED BY FUNGAL PLANT PATHOGENS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed