SCHEMBL4091954

SCHEMBL4091954

COc1ccc(-c2c([N+](=O)[O-])[c]ccc2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
APP P05067 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.40
MERTK Q12866 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 2/20 0.38
RAF1 P04049 1/20 0.38
GFER P55789 1/20 0.38
PAX8 Q06710 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 1/20 0.38
GAA P10253 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
SCHEMBL11502537 0.80 ALDH1A1 (0.46) ALDH1A1MAPK1KMT2AMAPTLMNA
SCHEMBL10904423 0.77 VCAM1 (0.42) NPC1MERTKMAPTFBP1
SCHEMBL6191715 0.75 HTR7 (0.44) HTR7APPSMN1; SMN2NPC1RAB9A
SCHEMBL1355833 0.74 ALDH1A1 (0.42) HTR7ALDH1A1MAPK1SMN1; SMN2NPC1
SCHEMBL16619607 0.74 ALDH1A1 (0.51) APPALDH1A1MAPK1SMN1; SMN2NPC1
SCHEMBL30564539 0.72 HTR7 (0.48) HTR7APPALDH1A1MAPK1SMN1; SMN2
SCHEMBL3538557 0.70 APP (0.44) HTR7APPALDH1A1MAPK1SMN1; SMN2
SCHEMBL8310372 0.70 ALDH1A1 (0.42) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL27530428 0.70 ERN1 (0.49) HTR7APPALDH1A1MAPK1SMN1; SMN2
SCHEMBL27530426 0.70 SMN1; SMN2 (0.53) HTR7APPALDH1A1MAPK1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009078813-A1 METHOD OF FORMING OSELTAMIVIR AND DERIVATIVES THEREOF NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2009-06-25 WO disclosed