SCHEMBL6444213

SCHEMBL6444213

O=C(O)c1cc2cccc(OCCC3CCCN3)c2o1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.51
PIM2 Q9P1W9 6/20 0.51
MKNK1 Q9BUB5 3/20 0.44
HRH3 Q9Y5N1 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
CNR2 P34972 3/20 0.41
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
UGCG Q16739 1/20 0.39

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
SCHEMBL6447952 0.97 PIM1 (0.50) PIM1PIM2MKNK1HRH3HSP90AA1
SCHEMBL4768815 0.79 PIM1 (0.48) PIM1PIM2MKNK1LMNAMEN1
SCHEMBL6445501 0.79 HSP90AA1 (0.41) MKNK1HRH3HSP90AA1HSP90AB1CNR2
SCHEMBL6448061 0.77 HSP90AA1 (0.44) PIM1PIM2MKNK1HRH3HSP90AA1
SCHEMBL5559235 0.77 HRH3 (0.52) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL5558971 0.76 LMNA (0.50) PIM1PIM2CNR2LMNARECQL
SCHEMBL4764679 0.76 CHEK2 (0.49) PIM1PIM2LMNAMEN1KMT2A
SCHEMBL5558555 0.76 KDM4E (0.51) HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL5565438 0.74 LMNA (0.55) PIM1PIM2CNR2LMNARECQL
SCHEMBL5564284 0.73 RXFP1 (0.59) CNR2MEN1KMT2A

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-1594857-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP claimed
WO-2004069133-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI -CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO claimed
EP-1594857-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP disclosed
WO-2004069133-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI -CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed