SCHEMBL7380733

SCHEMBL7380733

Cc1c(O)ccc2c(=O)cc(-c3cccc([N+](=O)[O-])c3)oc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.58
GABRD O14764 5/20 0.58
GABRA1 P14867 5/20 0.58
GABRB1 P18505 5/20 0.58
GABRG2 P18507 5/20 0.58
GABRB3 P28472 5/20 0.58
GABRA5 P31644 5/20 0.58
GABRA3 P34903 5/20 0.58
GABRA2 P47869 5/20 0.58
GABRB2 P47870 5/20 0.58
GABRA4 P48169 5/20 0.58
GABRE P78334 5/20 0.58
GABRA6 Q16445 5/20 0.58
GABRG1 Q8N1C3 5/20 0.58
GABRG3 Q99928 5/20 0.58
GABRQ Q9UN88 5/20 0.58
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
TERT O14746 4/20 0.53
KDM4E B2RXH2 2/20 0.53

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
SCHEMBL7378162 0.83 CYP3A4 (0.76) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7374638 0.79 CYP1A1 (0.65) TERTKDM4EALDH1A1TP53CYP3A4
SCHEMBL7373845 0.78 MAPT (0.48) CA12CA9TERTKDM4EALDH1A1
SCHEMBL7376625 0.78 ALDH1A1 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6617221 0.77 TERT (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7377806 0.76 MAPT (0.54) CA12CA9KDM4EALDH1A1CYP3A4
SCHEMBL7369647 0.76 TERT (0.74) TERTKDM4EALDH1A1TP53CYP3A4
SCHEMBL12835500 0.75 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16894631 0.75 GABRP (0.81) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6613764 0.74 TERT (0.71) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115718-A1 HYDROXYFLAVONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP disclosed
WO-2000017184-A1 HYDROXYFLAVONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-30 WO disclosed