SCHEMBL3409477

SCHEMBL3409477

CC(C)(C)n1ncc(OCc2ccc(OCCCCO)cc2)c(Cl)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
GPR183 P32249 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR35 Q9HC97 1/20 0.43
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.36
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
TP53 P04637 1/20 0.35
XDH P47989 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL1627514 0.97 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL15565349 0.94 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL12722376 0.90 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL15564368 0.90 SMN1; SMN2 (0.43) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL3412240 0.89 SMN1; SMN2 (0.45) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL1629691 0.89 SMN1; SMN2 (0.44) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL15596784 0.89 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL23867656 0.88 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL12722501 0.88 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL1627237 0.88 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257315-A2 CONTRAST AGENTS FOR APPLICATIONS INCLUDING PERFUSION IMAGING Lantheus Medical Imaging, Inc. (US) 2010-12-08 EP disclosed
WO-2009110984-A2 CONTRAST AGENTS FOR APPLICATIONS INCLUDING PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2009-09-11 WO disclosed