SCHEMBL4242532

SCHEMBL4242532

[O-][n+]1cnc2c(O)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.50
MMP2 P08253 1/20 0.50
CHRM1 P11229 1/20 0.50
TSHR P16473 1/20 0.50
COMT P21964 1/20 0.50
ADRA1A P35348 1/20 0.50
METAP1 P53582 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
KDM4E B2RXH2 10/20 0.47
ALOX12 P18054 3/20 0.47
ACHE P22303 1/20 0.41
PLAU P00749 1/20 0.39
NCF1 P14598 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
Oxyquinoline SCHEMBL29365411 0.67 TSHR (1.00) METAP2MMP2CHRM1TSHRCOMT
Oxyquinoline SCHEMBL29716519 0.67 TSHR (1.00) METAP2MMP2CHRM1TSHRCOMT
Oxyquinoline SCHEMBL37189 0.67 TSHR (1.00) METAP2MMP2CHRM1TSHRCOMT
Oxyquinoline SCHEMBL253313 0.67 TSHR (1.00) METAP2MMP2CHRM1TSHRCOMT
Oxyquinoline SCHEMBL23522696 0.66 TSHR (0.95) METAP2MMP2CHRM1TSHRCOMT
Oxyquinoline SCHEMBL22466317 0.66 TSHR (0.95) METAP2MMP2CHRM1TSHRCOMT
Oxyquinoline SCHEMBL21195162 0.66 TSHR (0.95) METAP2MMP2CHRM1TSHRCOMT
Oxyquinoline SCHEMBL20703753 0.66 TSHR (0.95) METAP2MMP2CHRM1TSHRCOMT
Oxyquinoline SCHEMBL22467701 0.66 TSHR (0.95) METAP2MMP2CHRM1TSHRCOMT
Oxyquinoline SCHEMBL21875199 0.66 TSHR (0.95) METAP2MMP2CHRM1TSHRCOMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737831-A4 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2009-07-22 EP disclosed
EP-1737831-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS Prana Biotechnology Limited (AU) 2007-01-03 EP disclosed
WO-2005095360-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2005-10-13 WO disclosed