SCHEMBL9717812

SCHEMBL9717812

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
AOC3 Q16853 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CDK8 P49336 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 2/20 0.47
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9717666 0.81 MAPK1 (0.52) KMT2AMEN1AOC3CYP1A2CYP3A4
SCHEMBL14276933 0.79 CYP3A4 (0.66) KMT2AMEN1AOC3CYP1A2CYP3A4
SCHEMBL3345442 0.78 CYP1A2 (0.64) KMT2AMEN1AOC3CYP1A2CYP3A4
SCHEMBL5515687 0.77 KMT2A (0.56) KMT2AMEN1AOC3CYP1A2CYP3A4
SCHEMBL10879740 0.77 CDK8 (0.67) KMT2AMEN1AOC3CYP1A2CYP3A4
SCHEMBL1414607 0.76 MLYCD (0.49) KMT2AAOC3
SCHEMBL2745736 0.76 AOC3 (0.58) KMT2AMEN1AOC3CYP1A2CYP3A4
SCHEMBL2745735 0.76 AOC3 (0.58) KMT2AMEN1AOC3CYP1A2CYP3A4
SCHEMBL20683363 0.76 CYP3A4 (0.65) KMT2AMEN1AOC3CYP1A2CYP3A4
SCHEMBL14679320 0.76 CYP3A4 (0.60) KMT2AMEN1AOC3CYP1A2CYP3A4

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