SCHEMBL6819783

SCHEMBL6819783

CCOC(=O)c1cc([N+](=O)[O-])c[nH]1.CCOC(=O)c1cc([N+](=O)[O-])cn1CCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
AR P10275 2/20 0.37
NPC1 O15118 1/20 0.36
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
GAA P10253 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35

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
SCHEMBL1844676 0.89 NPC1 (0.43) MAPTARNPC1NOD2NOD1
SCHEMBL6805379 0.82 AR (0.39) MAPTARNPC1NOD2NOD1
SCHEMBL1299290 0.80 MAPT (0.53) MAPTARNPC1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL2237158 0.79 MAPT (0.52) MAPTARNPC1MEN1KMT2A
SCHEMBL5680354 0.78 NPC1 (0.45) MAPTARNPC1NOD2NOD1
SCHEMBL5889676 0.78 NPC1 (0.47) MAPTARNPC1NOD2NOD1
SCHEMBL7258024 0.75 NPC1 (0.44) MAPTARNPC1NOD2NOD1
SCHEMBL20644785 0.75 AR (0.46) MAPTARNPC1NOD2NOD1
SCHEMBL26106290 0.75 NPC1 (0.44) MAPTARNPC1NOD2NOD1
SCHEMBL14099809 0.75 NPC1 (0.44) MAPTARNPC1NOD2NOD1

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-1467969-A2 DNA MINOR GROOVE BINDING COMPOUNDS The University of Strathclyde (GB) 2004-10-20 EP disclosed
WO-2003059881-A2 DNA MINOR GROOVE BINDING COMPOUNDS UNIVERSITY OF STRATHCLYDE (GB) 2003-07-24 WO disclosed