SCHEMBL7380906

SCHEMBL7380906

Cc1c(O)ccc2c(=O)cc(-c3cccc4ccccc34)oc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.64
CYP2C19 P33261 4/20 0.64
TSHR P16473 2/20 0.64
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 3/20 0.56
CYP2D6 P10635 3/20 0.56
CYP2C9 P11712 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALOX15 P16050 1/20 0.56
RECQL P46063 1/20 0.56
MCL1 Q07820 1/20 0.55
CYP1A1 P04798 5/20 0.54
CYP1A2 P05177 5/20 0.54
CYP1B1 Q16678 5/20 0.54
PRKDC P78527 2/20 0.54

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
SCHEMBL7374763 0.81 CA12 (0.57) CYP3A4CYP2C19TSHRMAPTKDM4E
SCHEMBL7376485 0.81 KDM4E (0.59) CYP3A4CYP2C19TSHRMAPTKDM4E
SCHEMBL7376625 0.79 ALDH1A1 (0.58) CYP3A4CYP2C19TSHRMAPTKDM4E
SCHEMBL7373845 0.77 MAPT (0.48) CYP3A4CYP2C19TSHRMAPTKDM4E
SCHEMBL7378162 0.76 CYP3A4 (0.76) CYP3A4CYP2C19MAPTKDM4EALDH1A1
SCHEMBL15676498 0.76 CYP3A4 (0.67) CYP3A4CYP2C19TSHRMAPTKDM4E
SCHEMBL7377806 0.76 MAPT (0.54) CYP3A4CYP2C19TSHRMAPTKDM4E
SCHEMBL7375802 0.74 MCL1 (0.55) CYP3A4CYP2C19TSHRMAPTKDM4E
SCHEMBL7369647 0.74 TERT (0.74) CYP3A4CYP2C19MAPTKDM4EALDH1A1
SCHEMBL530293 0.73 HPGD (0.67) CYP3A4CYP2C19TSHRMAPTKDM4E

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