SCHEMBL4940911

SCHEMBL4940911

O=[N+]([O-])c1ccc(C=Cc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
GAA P10253 1/20 0.56
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
NPBWR1 P48145 1/20 0.49
HPGD P15428 2/20 0.48
ALDH1A1 P00352 7/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C9 P11712 1/20 0.45
USP2 O75604 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL4944490 0.89 MAPT (0.59) MAPTHPGDALDH1A1SMN1; SMN2NPSR1
SCHEMBL11155782 0.88 MAPT (0.58) MAPTHPGDALDH1A1SMN1; SMN2NPSR1
SCHEMBL11155777 0.88 MAPT (0.58) MAPTHPGDALDH1A1SMN1; SMN2NPSR1
SCHEMBL9649952 0.85 MAPT (0.81) MAPTCTSLCTSBALDH1A1SMN1; SMN2
SCHEMBL9651198 0.84 MAPT (0.77) MAPTCTSLCTSBALDH1A1SMN1; SMN2
SCHEMBL13767769 0.78 ALDH1A1 (0.60) MAPTGAAHPGDALDH1A1CYP1A2
SCHEMBL1405729 0.77 PTGS2 (0.58) MAPTGAAHPGDALDH1A1SMN1; SMN2
SCHEMBL3248727 0.77 NFE2L2 (0.61) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL1405731 0.77 PTGS2 (0.58) MAPTGAAHPGDALDH1A1SMN1; SMN2
SCHEMBL3248725 0.77 NFE2L2 (0.61) MAPTALDH1A1SMN1; SMN2NPSR1LMNA

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
US-20080085455-A1 Methods for storing holographic data and storage media derived therefrom GENERAL ELECTRIC COMPANY (US) 2008-04-10 US disclosed