SCHEMBL10477884

SCHEMBL10477884

NCC(O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
RRM1 P23921 1/20 0.48
MAOB P27338 4/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL7145799 1.00 KMT2A (0.53) KMT2AMEN1SMN1; SMN2RRM1MAOB
SCHEMBL7488776 0.88 SMN1; SMN2 (0.60) KMT2AMEN1SMN1; SMN2MAOBLMNA
SCHEMBL10477980 0.88 KMT2A (0.50) KMT2AMEN1SMN1; SMN2RRM1MAOB
SCHEMBL322826 0.85 LMNA (0.58) SMN1; SMN2MAOBLMNACYP1A2PTGS1
SCHEMBL3923237 0.84 KMT2A (0.53) KMT2AMEN1SMN1; SMN2RRM1MAOB
SCHEMBL13840614 0.84 KMT2A (0.53) KMT2AMEN1SMN1; SMN2RRM1MAOB
SCHEMBL393316 0.84 LMNA (0.56) KMT2AMEN1MAOBLMNACYP1A2
SCHEMBL26563983 0.83 KMT2A (0.59) KMT2AMEN1SMN1; SMN2RRM1MAOB
SCHEMBL10926521 0.81 KMT2A (0.53) KMT2AMEN1SMN1; SMN2MAOBLMNA
SCHEMBL31185833 0.80 RRM1 (0.57) KMT2AMEN1SMN1; SMN2RRM1MAOB

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
US-4853381-A Ethanolamine compounds GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
EP-0162576-B1 ETHANOLAMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 1989-07-26 EP disclosed
EP-0223410-A2 Ethanolamine Derivatives GLAXO GROUP LIMITED (GB) 1987-05-27 EP disclosed
EP-0162576-A1 Ethanolamine compounds GLAXO GROUP LIMITED (GB) 1985-11-27 EP disclosed