SCHEMBL11098548

SCHEMBL11098548

CCC(C)=NOC(=O)C(C)Oc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 3/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL11102347 0.93 KMT2A (0.40) KMT2AMEN1KDM4EHPGDMAPK1
SCHEMBL10387640 0.86 MEN1 (0.48) KMT2AMEN1KDM4EHPGDMAPK1
SCHEMBL11095826 0.85 MAPK1 (0.39) KMT2AMEN1KDM4EHPGDMAPK1
SCHEMBL11566682 0.84 KMT2A (0.42) KMT2AMEN1KDM4EHPGDMAPK1
SCHEMBL10693531 0.84 ALDH1A1 (0.44) KMT2AMEN1KDM4EHPGDMAPK1
SCHEMBL10386448 0.84 MAPK1 (0.51) KMT2AMEN1KDM4EMAPK1L3MBTL1
SCHEMBL10388787 0.83 MAPK1 (0.44) KMT2AMEN1KDM4EMAPK1L3MBTL1
SCHEMBL9820875 0.83 MAPK1 (0.44) KMT2AMEN1KDM4EHPGDMAPK1
SCHEMBL10387605 0.80 KMT2A (0.40) KMT2AMEN1KDM4EHPGDMAPK1
SCHEMBL10637774 0.79 ALDH1A1 (0.44) KMT2AMEN1KDM4EMAPK1ALDH1A1

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
EP-0050097-B1 ALPHA-(PYRIDYL-2-OXY-PHENOXY)-PROPIONIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS CIBA-GEIGY AG (CH) 1984-12-05 EP claimed