SCHEMBL7204112

SCHEMBL7204112

COc1cc(C=CC=C(C#N)NC(C)c2ccccc2)cc(OC)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.61
MEN1 O00255 5/20 0.53
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TP53 P04637 3/20 0.40
MAPK1 P28482 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
RGS12 O14924 2/20 0.40
GMNN O75496 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
ALOX12 P18054 2/20 0.40
NFKB1 P19838 2/20 0.40

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
SCHEMBL7166663 0.86 KMT2A (0.48) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL4482998 0.85 KMT2A (0.77) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4483004 0.85 KMT2A (0.77) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5157754 0.83 KMT2A (0.52) KMT2AMEN1MAPTSMN1; SMN2GAA
SCHEMBL7205283 0.83 KMT2A (0.56) KMT2AMEN1MAPTSMN1; SMN2GAA
SCHEMBL5157804 0.78 LMNA (0.48) KMT2AMEN1MAPTGAAPOLB
SCHEMBL7204118 0.77 MEN1 (0.61) KMT2AMEN1MAPTSMN1; SMN2GAA
SCHEMBL5159075 0.75 KMT2A (0.49) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL7166665 0.75 MAPT (0.54) KMT2AMEN1MAPTSMN1; SMN2GAA
SCHEMBL4487339 0.74 KMT2A (0.74) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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
JP-2003531133-A 2003-10-21 JP claimed
EP-1272457-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC Research and Development Limited Partnership (CA) 2003-01-08 EP claimed
WO-2001079158-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2001-10-25 WO claimed