SCHEMBL4070622

SCHEMBL4070622

CC(C)(CNc1c(N)cnc2cc(OCc3ccccc3)ccc12)OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 4/20 0.41
EGLN2 Q96KS0 2/20 0.40
EGLN1 Q9GZT9 2/20 0.40
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KDR P35968 1/20 0.39
KMT2A Q03164 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
NMT2 O60551 2/20 0.38
HDAC3 O15379 1/20 0.38
APP P05067 1/20 0.38
ACHE P22303 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL4065418 0.93 NMT1 (0.47) NMT1EGLN2EGLN1MAOBMAPT
SCHEMBL3873470 0.87 EGLN2 (0.44) NMT1EGLN2EGLN1MAOBMEN1
SCHEMBL1486504 0.86 MAPT (0.42) NMT1EGLN2EGLN1MAOBMEN1
SCHEMBL4069120 0.86 EGLN2 (0.43) NMT1EGLN2EGLN1MAOBMEN1
SCHEMBL4066173 0.84 ALOX5 (0.40) NMT1EGLN2EGLN1MAOBMEN1
SCHEMBL1486695 0.83 NMT1 (0.40) NMT1EGLN2EGLN1MAOBMEN1
SCHEMBL5618488 0.82 EGLN2 (0.41) NMT1EGLN2EGLN1MAOBMEN1
SCHEMBL27661082 0.82 NMT1 (0.41) NMT1MAOBMEN1MAPTKDR
SCHEMBL1232717 0.81 HDAC1 (0.44) NMT1EGLN2EGLN1MAOBMEN1
Pivalate SCHEMBL4699497 0.81 NMT1 (0.44) NMT1EGLN2EGLN1MAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658076-A4 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-02-25 EP disclosed
EP-1658076-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-05-24 EP disclosed
WO-2005020999-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 WO disclosed