SCHEMBL6544949

SCHEMBL6544949

CN(C(=O)OC(C)(C)C)c1cc(Oc2ccccc2N2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
MAPT P10636 9/20 0.41
NPSR1 Q6W5P4 3/20 0.41
SMN1; SMN2 Q16637 7/20 0.40
L3MBTL1 Q9Y468 6/20 0.40
LMNA P02545 5/20 0.40
KMT2A Q03164 4/20 0.40
MAPK1 P28482 4/20 0.40
MEN1 O00255 3/20 0.40
HTT P42858 3/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 4/20 0.39
ALOX12 P18054 1/20 0.38
CTSB P07858 1/20 0.38
AR P10275 1/20 0.38
GFER P55789 1/20 0.37

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
SCHEMBL6543578 0.99 KMT2A (0.41) ALDH1A1MAPTNPSR1SMN1; SMN2L3MBTL1
SCHEMBL6544886 0.91 MAPT (0.45) ALDH1A1MAPTNPSR1SMN1; SMN2L3MBTL1
SCHEMBL6544191 0.85 GAA (0.39) ALDH1A1MAPTNPSR1SMN1; SMN2LMNA
SCHEMBL6543585 0.84 GAA (0.37) ALDH1A1MAPTNPSR1LMNAKMT2A
SCHEMBL3487405 0.83 TBXA2R (0.40) ALDH1A1MAPTNPSR1SMN1; SMN2LMNA
SCHEMBL6544430 0.81 MMP13 (0.42) ALDH1A1NPSR1SMN1; SMN2KDM4E
SCHEMBL6544703 0.81 PDCD1 (0.36) ALDH1A1MAPTNPSR1SMN1; SMN2KMT2A
SCHEMBL6544100 0.79 MEN1 (0.40) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL6544272 0.78 MMP13 (0.38) ALDH1A1MAPTSMN1; SMN2L3MBTL1KMT2A
SCHEMBL27804034 0.78 HSPB1 (0.40) ALDH1A1MAPTNPSR1SMN1; SMN2L3MBTL1

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-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed