SCHEMBL9752589

SCHEMBL9752589

O=c1[nH]cccc1CC(O)Cc1ccc[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.47
NAPRT Q6XQN6 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 4/20 0.36
BLM P54132 3/20 0.36
PARP1 P09874 3/20 0.36
GAA P10253 3/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL9752558 0.91 DAO (0.42) DAONAPRTAURKAAURKBINCENP
SCHEMBL14983880 0.80 GABRA1 (0.45) DAONAPRTAURKAAURKBINCENP
SCHEMBL5942953 0.80 AURKA (0.47) DAONAPRTAURKAAURKBINCENP
SCHEMBL217278 0.77
SCHEMBL10681106 0.77 KDM4E (0.51) NAPRTKDM4EBLMKMT2APOLB
SCHEMBL32662080 0.77 NAPRT (0.41) DAONAPRTAURKAAURKBINCENP
SCHEMBL5286520 0.77 KDM4E (0.51) NAPRTKDM4EBLMKMT2APOLB
SCHEMBL4075840 0.75 DAO (0.35) DAONAPRTAURKAAURKBINCENP
Hydrochloric Acid SCHEMBL30170071 0.75 NAPRT (0.40) DAONAPRTAURKAAURKBINCENP
Hydrochloric Acid SCHEMBL30925026 0.75 NAPRT (0.40) DAONAPRTAURKAAURKBINCENP

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