SCHEMBL3087531

SCHEMBL3087531

CC(C(=O)O)c1ccc2oc(CC#N)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
ADRA1A P35348 1/20 0.54
GAA P10253 1/20 0.42
AKR1C3 P42330 10/20 0.40
AKR1C2 P52895 10/20 0.40
LIPG Q9Y5X9 1/20 0.40
PTGS2 P35354 5/20 0.38
PTGS1 P23219 3/20 0.38
CDC42 P60953 1/20 0.38
RAC1 P63000 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38

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
SCHEMBL6782970 0.82 MAOA (0.56) MAOAADRA1AGAAAKR1C3AKR1C2
SCHEMBL11638633 0.80 MAOA (0.54) MAOAADRA1AGAACYP1A2
SCHEMBL4134433 0.79 MAOA (0.61) MAOAADRA1AGAAAKR1C3AKR1C2
SCHEMBL8130190 0.78 GAA (0.44) GAALIPG
SCHEMBL11638582 0.77 MAOA (0.51) MAOAADRA1AGAAAKR1C3AKR1C2
SCHEMBL11637527 0.77 MAOA (0.51) MAOAADRA1AGAAAKR1C3AKR1C2
SCHEMBL11637702 0.77 MAOA (0.66) MAOAADRA1AGAAAKR1C3AKR1C2
SCHEMBL11642466 0.76 MAOA (0.56) MAOAADRA1AGAAAKR1C3AKR1C2
SCHEMBL11667804 0.75 MAOA (0.55) MAOAADRA1AGAAAKR1C3AKR1C2
SCHEMBL11635855 0.75 MAOA (0.55) MAOAADRA1AGAAAKR1C3AKR1C2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9677115-B2 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. (US) 2017-06-13 US disclosed
US-20130252268-A1 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. (US) 2013-09-26 US disclosed
US-8460862-B2 Enzyme substrates for visualizing acidic organelles Marker Gene Technologies (US) 2013-06-11 US disclosed
US-20100233744-A1 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. 2010-09-16 US disclosed