SCHEMBL2324074

SCHEMBL2324074

CC(C)Cn1ncc(OCc2ccc(CBr)cc2)c(Cl)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 7/20 0.39
▸ HTT P42858 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 4/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ PDE9A O76083 2/20 0.35
▸ NPBWR1 P48145 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ BPTF Q12830 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RECQL P46063 1/20 0.32

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
SCHEMBL2321817 0.89 MAPK14 (0.36) MAPK14HTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL2324267 0.88 NPBWR1 (0.38) MAPK14HTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL2318036 0.84 HTT (0.35) MAPK14HTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL15565563 0.83 BPTF (0.46) MAPK14ALDH1A1RAB9APDE9ANPBWR1
SCHEMBL18672227 0.82 MAPK14 (0.38) MAPK14HTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL2360721 0.82 HTT (0.33) MAPK14HTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL14761331 0.78 SMN1; SMN2 (0.48) MAPK14HTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL10616008 0.77 BRD4 (0.43) MAPK14HTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL9374927 0.75 MAPK14 (0.40) MAPK14HTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL28553182 0.74 MAPK14 (0.36) MAPK14HTTALDH1A1SMN1; SMN2NPSR1

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-2534136-A2 METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF Lantheus Medical Imaging, Inc. (US) 2012-12-19 — — EP disclosed
WO-2011097649-A2 METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF LANTHEUS MEDICAL IMAGING, INC. (US) 2011-08-11 — — WO disclosed
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