SCHEMBL9752756

SCHEMBL9752756

O=c1[nH]cccc1CCCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43
MCL1 Q07820 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
PARP1 P09874 2/20 0.37
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
FKBP5 Q13451 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDH1 O75874 1/20 0.33
CHEK1 O14757 1/20 0.31
NPC1 O15118 2/20 0.31

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
SCHEMBL8712639 0.88 DAO (0.41) DAOAURKAAURKBINCENPMCL1
SCHEMBL29743274 0.83
SCHEMBL9234355 0.81 DAO (0.45) DAOAURKAAURKBINCENPMCL1
SCHEMBL16759805 0.79 DAO (0.43) DAOAURKAAURKBINCENPMCL1
SCHEMBL5404670 0.79 AURKA (0.48) DAOAURKAAURKBINCENPMCL1
SCHEMBL27088907 0.79 DAO (0.48) DAOAURKAAURKBINCENPMCL1
SCHEMBL174911 0.79 KDM4E (0.44) DAOAURKAAURKBINCENPMCL1
SCHEMBL9752575 0.78 DAO (0.42) DAOAURKAAURKBINCENPMCL1
SCHEMBL10692239 0.76 DAO (0.41) DAOAURKAAURKBINCENPMCL1
SCHEMBL6536604 0.76 DAO (0.45) DAOAURKAAURKBINCENPMCL1

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
WO-1991009848-A1 PYRIDINONES USEFUL AS ANTIATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1991-07-11 WO disclosed