SCHEMBL31768

SCHEMBL31768

O=C1CN(Cc2cccc(C(=O)O)c2)C(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HIF1A Q16665 1/20 0.54
KMT2A Q03164 2/20 0.52
FOLH1 Q04609 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HDAC6 Q9UBN7 1/20 0.49
HTT P42858 1/20 0.48
EPHX2 P34913 1/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
TAS2R8 Q9NYW2 1/20 0.43
IDO1 P14902 2/20 0.43
TDO2 P48775 1/20 0.43
MEP1B Q16820 1/20 0.43

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
SCHEMBL31773 0.84 LOXL2 (0.52) ALDH1A1HDAC6L3MBTL1MAPTTAS2R8
SCHEMBL30065107 0.81 EPHX2 (0.47) CYP2C9KMT2AHDAC6EPHX2DDB1
SCHEMBL9850086 0.80 DDB1 (0.69) CYP2D6CYP2C9KMT2AALDH1A1HDAC6
SCHEMBL1011633 0.80 DDB1 (0.69) CYP2D6CYP2C9KMT2AALDH1A1HDAC6
SCHEMBL9850110 0.78 DDB1 (0.67) CYP2D6CYP2C9KMT2AALDH1A1HDAC6
SCHEMBL5182904 0.78 EPHX2 (0.47) CYP2C9KMT2AEPHX2DDB1CRBN
SCHEMBL3140629 0.77 ENPP2 (0.46) CYP2C9KMT2AALDH1A1HDAC6EPHX2
SCHEMBL1200393 0.75 CYP2D6 (0.62) CYP2D6CYP2C9HIF1AKMT2AFOLH1
SCHEMBL31572029 0.75 CYP2D6 (0.62) CYP2D6CYP2C9HIF1AKMT2AFOLH1
SCHEMBL670624 0.75 CYP2C9 (0.55) CYP2D6CYP2C9HIF1AKMT2AFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012026495-A1 NOVEL HYDANTOIN DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2012-03-01 WO disclosed