SCHEMBL15565322

SCHEMBL15565322

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
GPR183 P32249 1/20 0.43
GPR35 Q9HC97 1/20 0.43
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 3/20 0.36
TP53 P04637 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
MAPK14 Q16539 5/20 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
SCHEMBL1629038 0.92 SMN1; SMN2 (0.45) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL21442571 0.90 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL15564368 0.90 SMN1; SMN2 (0.43) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL16901967 0.88 SMN1; SMN2 (0.42) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL15565349 0.87 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL1629691 0.87 SMN1; SMN2 (0.44) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL18672266 0.86 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL16998539 0.86 SMN1; SMN2 (0.40) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL16998564 0.85 SMN1; SMN2 (0.41) SMN1; SMN2KMT2ALMNANPC1RAB9A
SCHEMBL14760853 0.85 SMN1; SMN2 (0.48) SMN1; SMN2KMT2ALMNANPC1RAB9A

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-2882719-A2 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2015-06-17 EP disclosed
WO-2014026079-A2 COMPOSITIONS, METHODS, AND SYSTEMS OF THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2014-02-13 WO disclosed