SCHEMBL3130403

SCHEMBL3130403

COc1cc(NC(C)=O)ccc1-c1cc2ccccc2oc1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.73
ALDH1A1 P00352 6/20 0.73
HPGD P15428 5/20 0.73
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
MAPT P10636 9/20 0.70
LMNA P02545 5/20 0.70
RXFP1 Q9HBX9 1/20 0.68
GLA P06280 1/20 0.65
GAA P10253 1/20 0.65
NOD2 Q9HC29 1/20 0.65
THRB P10828 1/20 0.62
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
MAOA P21397 2/20 0.60

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
SCHEMBL3128145 0.89 ALDH1A1 (0.67) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3125211 0.85 ALDH1A1 (0.63) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3131662 0.84 MAPT (0.62) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3131560 0.83 MAPT (0.61) KDM4EALDH1A1HPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL3127773 0.83 MAPT (0.61) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL4493313 0.82 ALDH1A1 (0.62) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3910984 0.82 MAPT (0.60) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3910988 0.82 MAPT (0.60) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3124699 0.82 ALDH1A1 (0.77) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3134218 0.82 ALDH1A1 (0.68) KDM4EALDH1A1HPGDKMT2AMEN1

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-2021333-B1 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS ETHICAL ONCOLOGY SCIENCE S (IT) 2010-07-14 EP claimed