SCHEMBL735841

SCHEMBL735841

O=C(O)C1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.53
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL735842 1.00 CA2 (0.53) CA2ALDH1A1L3MBTL1TDP1MEN1
SCHEMBL15962164 0.86 CA2 (0.64) CA2ALDH1A1L3MBTL1TDP1MEN1
SCHEMBL9817974 0.84 L3MBTL1 (0.48) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL12261960 0.83 RXFP1 (0.57) L3MBTL1TDP1
SCHEMBL6787910 0.77 CA2 (0.75) CA2ALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL5537767 0.77 CA2 (0.75) CA2ALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL6787220 0.75 CA2 (0.59) CA2
SCHEMBL6787214 0.75 CA2 (0.59) CA2
SCHEMBL13229 0.74 CA2 (0.67) CA2ALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL28789388 0.74 CA2 (0.67) CA2ALDH1A1L3MBTL1TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050118409-A1 Chelator-modified inorganic oxide particles NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-02 US claimed
WO-2005037397-A1 CHELATOR-MODIFIED INORGANIC OXIDE PARTICLES ZIRCHROM SEPARATIONS, INC. (US) 2005-04-28 WO claimed
US-8137548-B2 Chelator-modified inorganic oxide particles ZIRCHROM SEPARATIONS, INC. (US) 2012-03-20 US disclosed
US-20050118409-A1 Chelator-modified inorganic oxide particles NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-02 US disclosed
WO-2005037397-A1 CHELATOR-MODIFIED INORGANIC OXIDE PARTICLES ZIRCHROM SEPARATIONS, INC. (US) 2005-04-28 WO disclosed