SCHEMBL4538904

SCHEMBL4538904

CC(C(=O)OC(C)(C)C)c1ccc([AsH2])cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS2 P35354 2/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
FAAH O00519 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL8850119 0.84 APP (0.49) APPLMNAKMT2AMAPTMAPK1
SCHEMBL5215244 0.84 APP (0.49) APPLMNAKMT2ATDP1
SCHEMBL550740 0.82 APP (0.48) APPLMNAKMT2AL3MBTL1NPC1
SCHEMBL6349692 0.82 APP (0.58) APPLMNAKMT2AL3MBTL1MAPT
SCHEMBL2289610 0.81 APP (0.47) APPKMT2APTGS2L3MBTL1ALDH1A1
SCHEMBL16782694 0.81 APP (0.47) APPKMT2APTGS2L3MBTL1ALDH1A1
SCHEMBL2065202 0.79 TYR (0.48) APPLMNAKMT2ANPC1ALDH1A1
SCHEMBL16811749 0.79 APP (0.46) APPLMNAPTGS2HPGDALDH1A1
SCHEMBL27598213 0.79 PARP10 (0.46) APPKMT2APTGS2HPGDALDH1A1
SCHEMBL6783979 0.78 APP (0.45) APPLMNAKMT2APTGS2NPC1

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-2027088-A2 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The Government of the United States of America, as repres. by the Secretary of Health and Human Services, Nat. Inst. of Health (US) 2009-02-25 EP disclosed
WO-2007109211-A2 1-OXO-ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-09-27 WO disclosed