SCHEMBL8599574

SCHEMBL8599574

COc1cc(C(=O)NCO)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
MEN1 O00255 2/20 0.71
MAPK1 P28482 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
POLB P06746 1/20 0.60
BRD4 O60885 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
NPC1 O15118 1/20 0.57
TP53 P04637 2/20 0.57

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
SCHEMBL11740732 0.86 KMT2A (0.67) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL8947318 0.86 KMT2A (0.67) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL4147862 0.86 KMT2A (0.71) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL11822630 0.85 KMT2A (0.65) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL7952955 0.84 KMT2A (0.69) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL16232794 0.84 KMT2A (0.69) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL13922753 0.84 KMT2A (0.69) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL11373983 0.84 KMT2A (0.69) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL2926341 0.83 KMT2A (0.77) KMT2AMEN1MAPK1SMN1; SMN2POLB
SCHEMBL9543614 0.83 MEN1 (0.67) KMT2AMEN1MAPK1SMN1; SMN2TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537786-B1 Preparation of N-acylaminomethylphosphonic acid SHOWA DENKO KK (JP) 1998-01-21 EP disclosed
US-5453537-A Method for preparing an N-phosphonomethylglycine SHOWA DENKO K.K. (JP) 1995-09-26 US disclosed
US-5324855-A Mixing an N-methylolamide with phosphorus trihalide in aprotic solvent, in presence of water, heating, then adding more water, efficiency, simplification SHOWA DENKO K.K. (JP) 1994-06-28 US disclosed
EP-0537786-A1 Preparation of N-acylaminomethylphosphonic acid SHOWA DENKO KABUSHIKI KAISHA (JP) 1993-04-21 EP disclosed