SCHEMBL9901647

SCHEMBL9901647

Cc1cccc(COc2c(C)c(C)n(-c3ccnc(-c4ccnc(C(C)C)n4)c3)c(=O)c2Br)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.35
MAOA P21397 2/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
MAPK14 Q16539 3/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
PIK3CA P42336 1/20 0.31
ACHE P22303 1/20 0.31
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SGMS2 Q8NHU3 1/20 0.30
POLB P06746 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
SCHEMBL9905118 0.92 MAOB (0.37) MAOBMAOATHRATHRBHTR2A
SCHEMBL9901007 0.92 MAOB (0.34) MAOBMAOATHRATHRBMAPK14
SCHEMBL9902349 0.91 MAOB (0.36) MAOBMAOAPIK3CAACHEMAPT
SCHEMBL9901769 0.91 MAOB (0.36) MAOBMAOATHRATHRBPIK3CA
SCHEMBL9905649 0.87 MAPK14 (0.46) MAPK14MAPTPOLB
SCHEMBL9901203 0.86 GABRG2 (0.30)
SCHEMBL9110271 0.85 MAPK14 (0.48) MAOBMAOAMAPK14
SCHEMBL9901669 0.85 MAOB (0.35) MAOBMAOATHRATHRBACHE
SCHEMBL9901763 0.84 MAOB (0.35) MAOBMAOATHRATHRBACHE
SCHEMBL9112100 0.82 MAPK14 (0.37) MAOBMAOAMAPK14PIK3CAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648516-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS Confluence Life Sciences, Inc. (US) 2013-10-16 EP disclosed
WO-2012078684-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2012-06-14 WO disclosed