SCHEMBL28119261

SCHEMBL28119261

O=C1c2ccccc2C(=O)N1[CH]CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.55
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
GLS O94925 1/20 0.47
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 2/20 0.42
DRD3 P35462 1/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL29042698 0.86 CASP3 (0.50) CASP3CA12CA9GLSALDH1A1
SCHEMBL8950475 0.80 CASP3 (0.60) CASP3CA12CA9GLSALDH1A1
SCHEMBL4476083 0.80 CASP3 (0.60) CASP3CA12CA9GLSALDH1A1
SCHEMBL4468251 0.80 CASP3 (0.60) CASP3CA12CA9GLSALDH1A1
SCHEMBL236658 0.78 CASP3 (0.58) CASP3CA12CA9GLSALDH1A1
SCHEMBL29529168 0.78 CASP3 (0.58) CASP3CA12CA9GLSALDH1A1
SCHEMBL5394867 0.77 CASP3 (0.56) CASP3CA12CA9GLSALDH1A1
SCHEMBL5190685 0.77 ALDH1A1 (0.44) CASP3CA12CA9GLSALDH1A1
SCHEMBL21371417 0.77 CASP3 (0.56) CASP3CA12CA9GLSALDH1A1
SCHEMBL18342255 0.77 CASP3 (0.61) CASP3CA12CA9GLSALDH1A1

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
CN-103270445-B Colored metalorganic fluids for electrowetting, electrofluidic, and electrophoretic technologies 太阳化学公司 2017-02-15 CN disclosed