SCHEMBL13639475

SCHEMBL13639475

Cc1ccc2c(c1)C(=O)C1CC=CC=C1C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ELANE P08246 1/20 0.41
CYP19A1 P11511 2/20 0.37
ACHE P22303 1/20 0.36
METAP1 P53582 4/20 0.33
NQO1 P15559 2/20 0.33
POR P16435 2/20 0.33
LCK P06239 1/20 0.33
ALKBH3 Q96Q83 2/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL183267 0.80 TTK (0.41) MAOACYP19A1SMN1; SMN2KDM4EMAPT
SCHEMBL13350049 0.70 MEN1 (0.37) MAOASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL31199233 0.67 ACHE (0.44) MAOAMAOBELANECYP19A1ACHE
SCHEMBL2229729 0.67 ACHE (0.44) MAOAMAOBELANECYP19A1ACHE
SCHEMBL18457364 0.66
SCHEMBL9173461 0.66
SCHEMBL182959 0.65 ELANE (0.86) MAOAMAOBELANEMETAP1NQO1
SCHEMBL12108763 0.65 MAOA (0.73) MAOAMAOBELANEACHEMETAP1
SCHEMBL583153 0.65 ELANE (0.86) MAOAMAOBELANEMETAP1NQO1
SCHEMBL4401141 0.65 ELANE (0.77) MAOAMAOBELANEACHEMETAP1

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
EP-2350201-B1 AZOPYRIDONE DISPERSE DYES, THEIR PREPARATION AND USE DYSTAR COLOURS DISTRIB GMBH (DE) 2012-11-07 EP disclosed