SCHEMBL5772666

SCHEMBL5772666

N[C@H](c1cccc(OCc2ccccc2)c1)[C@H](N)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
KMT2A Q03164 1/20 0.67
MAOB P27338 5/20 0.62
SGMS2 Q8NHU3 1/20 0.56
BCHE P06276 2/20 0.54
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
MAOA P21397 1/20 0.53
NR4A2 P43354 1/20 0.53
ALOX5 P09917 2/20 0.51
LCK P06239 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL5772678 1.00 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AMAOBSGMS2BCHE
SCHEMBL1566108 0.91 KMT2A (0.60) SMN1; SMN2KMT2AMAOBSGMS2BCHE
SCHEMBL19415790 0.90 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AMAOBSGMS2BCHE
SCHEMBL12446273 0.87 SMN1; SMN2 (0.63) SMN1; SMN2KMT2AMAOBSGMS2BCHE
SCHEMBL2749197 0.87 KMT2A (0.63) SMN1; SMN2KMT2AMAOBSGMS2BCHE
SCHEMBL28115743 0.87 KMT2A (0.67) SMN1; SMN2KMT2AMAOBSGMS2CYP4F2
SCHEMBL28115744 0.87 KMT2A (0.67) SMN1; SMN2KMT2AMAOBSGMS2CYP4F2
Hydrochloric Acid SCHEMBL30662874 0.85 KMT2A (0.62) SMN1; SMN2KMT2AMAOBSGMS2BCHE
Hydrochloric Acid SCHEMBL9461016 0.85 KMT2A (0.62) SMN1; SMN2KMT2AMAOBSGMS2BCHE
Hydrochloric Acid SCHEMBL26610965 0.85 KMT2A (0.62) SMN1; SMN2KMT2AMAOBSGMS2BCHE

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-1676635-A2 Immobilisable ligands derived from ethylenediamine Johnson Matthey PLC (GB) 2006-07-05 EP disclosed
US-20060135355-A1 Nitrogen-containing ligands JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2006-06-22 US disclosed
EP-1545772-A2 NITROGEN-CONTAINING LIGANDS Johnson Matthey PLC (GB) 2005-06-29 EP disclosed
WO-2004014551-A2 IMMOBILISED LIGANDS DERIVED FROM ETHYLENEDIAMINE JOHNSON MATTHEY PLC (GB) 2004-02-19 WO disclosed