SCHEMBL9199822

SCHEMBL9199822

O=c1cc(-c2cccnc2)oc2cccc(O)c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.69
CYP3A4 P08684 4/20 0.69
MAPT P10636 4/20 0.69
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
ALOX15 P16050 2/20 0.69
ALDH1A1 P00352 1/20 0.69
CYP1A1 P04798 1/20 0.69
CYP1A2 P05177 1/20 0.69
PKM P14618 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
CYP1B1 Q16678 1/20 0.69
FTO Q9C0B1 1/20 0.69
MAPK1 P28482 2/20 0.63
RAF1 P04049 1/20 0.63
HPGD P15428 1/20 0.63
KDM4E B2RXH2 2/20 0.62
POLH Q9Y253 2/20 0.62
ALOX5 P09917 1/20 0.62
CYP2C9 P11712 1/20 0.62

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
SCHEMBL9205457 0.84 AR (0.75) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL6094870 0.84 CYP3A4 (0.85) ARCYP3A4MAPTMEN1KMT2A
5-Hydroxyflavone SCHEMBL30630415 0.82 AR (1.00) ARCYP3A4MAPTMEN1KMT2A
5-Hydroxyflavone SCHEMBL2390993 0.82 AR (1.00) ARCYP3A4MAPTMEN1KMT2A
5-Hydroxyflavone SCHEMBL158303 0.82 AR (1.00) ARCYP3A4MAPTMEN1KMT2A
5-Hydroxyflavone SCHEMBL28317755 0.81 AR (0.97) ARCYP3A4MAPTMEN1KMT2A
5-Hydroxyflavone SCHEMBL2390943 0.81 AR (0.97) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL311760 0.81 AR (0.68) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL4649971 0.80 CYP3A4 (1.00) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL1647031 0.78 TNKS (0.69) ARCYP3A4MAPTKMT2AALOX15

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-0430693-B1 Pyrimidinedione derivative compounds, method for preparing same, and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS (JP) 1995-05-31 EP disclosed
US-5114941-A PYRIMIDINEDIONE DERIVATIVE COMPOUNDS, METHOD FOR PREPARING SAME, AND ANTIARRYTHMIC AGENTS CONTAINING SAME MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-19 US disclosed
EP-0430693-A2 Pyrimidinedione derivative compounds, method for preparing same, and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-06-05 EP disclosed