SCHEMBL4586121

SCHEMBL4586121

O=C1C=CC(=O)C(=NO)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C19 P33261 1/20 0.35
AURKA O14965 1/20 0.32
CYP1A1 P04798 1/20 0.32
CDC25B P30305 1/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
COPS5 Q92905 1/20 0.32
AURKB Q96GD4 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32

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
SCHEMBL6152323 0.76 GSK3A (0.46) GSK3AGSK3B
SCHEMBL11698307 0.76 GSK3A (0.46) GSK3AGSK3B
SCHEMBL354379 0.74 MIF (0.41) GSK3AGSK3B
SCHEMBL10887811 0.70 GFER (0.36) GSK3AGSK3BCYP1A2ALDH1A1AURKA
SCHEMBL19847083 0.69 GSK3A (0.37) GSK3AGSK3B
SCHEMBL6814814 0.69 MEN1 (0.38) GSK3AGSK3BCYP1A2ALDH1A1CYP2C19
SCHEMBL11348051 0.67
SCHEMBL277815 0.66
SCHEMBL26675163 0.65
Hydrochloric Acid SCHEMBL27827986 0.64 GSK3A (0.56) GSK3AGSK3BCYP1A2ALDH1A1AURKA

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-1311255-A4 COMPOUNDS HAVING MIF ANTAGONIST ACTIVITY PICOWER INST MED RES (US) 2008-07-09 EP disclosed
EP-1311255-A1 COMPOUNDS HAVING MIF ANTAGONIST ACTIVITY THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2003-05-21 EP disclosed
US-6492428-B1 MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF); SUBSTITUTED IMINOQUINONE OR ORTHOQUINONE RING SYSTEMS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2002-12-10 US disclosed
WO-2002007720-A1 COMPOUNDS HAVING MIF ANTAGONIST ACTIVITY THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2002-01-31 WO disclosed