SCHEMBL18672266

SCHEMBL18672266

CC(C)(C)n1ncc(OCc2ccc(COc3cnn(C(C)(C)C)c(=O)c3Cl)cc2)c(Cl)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ GALR3 O60755 1/20 0.53
▸ NR2F2 P24468 1/20 0.53
▸ GPR183 P32249 1/20 0.53
▸ GPR35 Q9HC97 1/20 0.53
▸ HTT P42858 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPK1 P28482 3/20 0.44
▸ MAPK14 Q16539 5/20 0.42
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 4/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 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
SCHEMBL18672249 0.95 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL13694257 0.95 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL14768943 0.95 NPC1 (0.52) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL15596642 0.94 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL9232300 0.94 RAB9A (0.63) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL14760853 0.94 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL18672246 0.94 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL14761331 0.94 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL9233810 0.93 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL20159053 0.92 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603951-B2 Methods and apparatus for synthesizing imaging agents, and intermediates thereof LANTHEUS MEDICAL IMAGING, INC. (US) 2017-03-28 — — US disclosed
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