SCHEMBL27677403

SCHEMBL27677403

CCCCOC(=O)NCCCCNc1c([N+](=O)[O-])cnc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.39
NMT1 P30419 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL27677402 0.98 BRD4 (0.40) BRD4TRPM8SIRT5MAPTL3MBTL1
SCHEMBL1486464 0.88 MEN1 (0.42) BRD4SIRT5MAPTMAOBMEN1
SCHEMBL1486461 0.88 MEN1 (0.42) BRD4SIRT5MAPTMAOBMEN1
SCHEMBL4394795 0.88 BCL2 (0.46) BRD4MAPTL3MBTL1
SCHEMBL1231815 0.86 MAPT (0.42) BRD4SIRT5MAPTMAOBMEN1
SCHEMBL1231816 0.86 MAPT (0.42) BRD4SIRT5MAPTMAOBMEN1
SCHEMBL1231851 0.86 BCL2 (0.46) BRD4SIRT5MAPTL3MBTL1
SCHEMBL1231886 0.83 MAPT (0.43) MAPTMAOBNMT1MEN1KMT2A
SCHEMBL1231888 0.83 MAPT (0.43) MAPTMAOBNMT1MEN1KMT2A
SCHEMBL1233933 0.83 BCL2 (0.44) MAPTNMT1MEN1KMT2A

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
CN-1897948-A Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2007-01-17 CN disclosed