SCHEMBL5497320

SCHEMBL5497320

O=C1C=CCc2[c]cccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CDC25B P30305 1/20 0.38
AKT1 P31749 1/20 0.38
SNCA P37840 1/20 0.38
MAP2K1 Q02750 1/20 0.38
PIN1 Q13526 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
NSD1 Q96L73 1/20 0.38
EHMT1 Q9H9B1 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
SCHEMBL8808570 0.69
SCHEMBL1149272 0.69
SCHEMBL8106518 0.68 GSK3B (0.31)
SCHEMBL157676 0.67 IDO1 (0.50) IDO1MAOAMAOBCDC25BAKT1
SCHEMBL30252635 0.67 MAOA (0.50) IDO1MAOAMAOBCDC25BAKT1
SCHEMBL20366857 0.67 CDC25B (0.56) IDO1MAOAMAOBCDC25BAKT1
SCHEMBL50865 0.67 MAOA (0.50) IDO1MAOAMAOBCDC25BAKT1
Hydrochloric Acid SCHEMBL2710069 0.65 MAOA (0.48) IDO1MAOAMAOBCDC25BAKT1
Hydrochloric Acid SCHEMBL30537100 0.65 MAOA (0.48) IDO1MAOAMAOBCDC25BAKT1
SCHEMBL1091147 0.65 MAOA (0.38) MAOAMAOB

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-1808451-A1 Copolymerization and copolymers of aromatic polymers with carbon nanotubes and products made therefrom William Marsh Rice University (US) 2007-07-18 EP disclosed