SCHEMBL8155255

SCHEMBL8155255

COc1nn(C)c(=O)n1-c1ccccc1CO/N=C(\SC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR2A P28223 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MAOB P27338 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CCR2 P41597 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
SCHEMBL8155257 1.00 GAA (0.34) GAALMNAPOLBALDH1A1HTR2A
SCHEMBL119997 0.89 KMT2A (0.37) GAALMNAPOLBALDH1A1HTR2A
SCHEMBL32678199 0.89 KMT2A (0.37) GAALMNAPOLBALDH1A1HTR2A
SCHEMBL119998 0.89 KMT2A (0.37) GAALMNAPOLBALDH1A1HTR2A
SCHEMBL959562 0.89 KMT2A (0.37) GAALMNAPOLBALDH1A1HTR2A
SCHEMBL29870686 0.89 KMT2A (0.37) GAALMNAPOLBALDH1A1HTR2A
SCHEMBL8149111 0.84 LMNA (0.38) GAALMNAHTR2AMAOBMAPT
SCHEMBL8149110 0.84 LMNA (0.38) GAALMNAHTR2AMAOBMAPT
SCHEMBL8147257 0.82 TSHR (0.33) GAAALDH1A1KDM4E
SCHEMBL8147682 0.82 TDP1 (0.37) GAALMNAPOLBALDH1A1MAPT

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 claimed