SCHEMBL9717666

SCHEMBL9717666

COc1ccc(CCN(C)C(=O)C(NC(=O)O)C(C)C)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.50
CDK8 P49336 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
AOC3 Q16853 1/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL8769778 0.85 KMT2A (0.48) MAPK1KMT2AMEN1CYP3A4CDK8
SCHEMBL9717740 0.85 KMT2A (0.57) KMT2AMEN1CYP3A4CYP1A2CYP2D6
SCHEMBL9717812 0.81 KMT2A (0.56) KMT2AMEN1CYP3A4CDK8CLK4
SCHEMBL14276933 0.76 CYP3A4 (0.66) KMT2AMEN1CYP3A4CDK8CLK4
SCHEMBL3345442 0.74 CYP1A2 (0.64) KMT2AMEN1CYP3A4CDK8CLK4
SCHEMBL9717703 0.74 KMT2A (0.51) MAPK1KMT2AMEN1CYP3A4CYP1A2
SCHEMBL27964613 0.73 KMT2A (0.68) MAPK1KMT2AMEN1ALDH1A1
SCHEMBL5515687 0.73 KMT2A (0.56) MAPK1KMT2AMEN1CYP3A4CDK8
SCHEMBL10879740 0.73 CDK8 (0.67) KMT2AMEN1CYP3A4CDK8CLK4
SCHEMBL14679320 0.72 CYP3A4 (0.60) KMT2AMEN1CYP3A4CDK8CLK4

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-0493683-A1 Fungicidal amino acid amides AMERICAN CYANAMID COMPANY (US) 1992-07-08 EP disclosed