SCHEMBL9901669

SCHEMBL9901669

Cc1cccc(COc2c(C)c(C)n(-c3ccnc(-c4nc(C(C)C)ncc4C)c3)c(=O)c2C)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.35
MAOA P21397 2/20 0.35
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CHEK1 O14757 1/20 0.30
NEK2 P51955 1/20 0.30
LIMK1 P53667 1/20 0.30
TYRO3 Q06418 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
ALDH1A2 O94788 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALDH1A3 P47895 1/20 0.30
HSP90AA1 P07900 1/20 0.30
USP1 O94782 1/20 0.30
WDR48 Q8TAF3 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
SCHEMBL9901763 0.94 MAOB (0.35) MAOBMAOAMAPTTDP1ACHE
SCHEMBL9901007 0.93 MAOB (0.34) MAOBMAOAMAPTTDP1THRA
SCHEMBL9902538 0.91 MAOB (0.36) MAOBMAOAMAPTACHEALDH1A1
SCHEMBL9905118 0.91 MAOB (0.37) MAOBMAOAMAPTTDP1ACHE
SCHEMBL9109600 0.86 MAPK14 (0.35) MAOBMAOAALDH1A1
SCHEMBL9902504 0.86 GRM5 (0.32)
SCHEMBL9905270 0.86
SCHEMBL9901769 0.85 MAOB (0.36) MAOBMAOAMAPTTDP1ACHE
SCHEMBL9901647 0.85 MAOB (0.35) MAOBMAOAMAPTTDP1ACHE
SCHEMBL9110474 0.82 MAPKAPK2 (0.39) MAOBMAOAALDH1A1

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