SCHEMBL9901007

SCHEMBL9901007

Cc1cccc(COc2c(C)c(C)n(-c3ccnc(-c4nc(C(C)C)ncc4C)c3)c(=O)c2Br)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.34
MAOA P21397 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
MAPK14 Q16539 3/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 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
SCHEMBL9901669 0.93 MAOB (0.35) MAOBMAOATHRATHRBMAPT
SCHEMBL9901763 0.93 MAOB (0.35) MAOBMAOATHRATHRBMAPT
SCHEMBL9901647 0.92 MAOB (0.35) MAOBMAOATHRATHRBMAPK14
SCHEMBL9905063 0.87 GRM5 (0.31)
SCHEMBL9110080 0.87 MAPK14 (0.46) MAOBMAOAMAPK14
SCHEMBL9901821 0.86 THRA (0.34) MAOBMAOATHRATHRBMAPK14
SCHEMBL9905458 0.86 MAPK14 (0.31) MAPK14
SCHEMBL9902538 0.85 MAOB (0.36) MAOBMAOAMAPT
SCHEMBL9901769 0.84 MAOB (0.36) MAOBMAOATHRATHRBMAPT
SCHEMBL9905118 0.84 MAOB (0.37) MAOBMAOATHRATHRBMAPT

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