SCHEMBL7996831

SCHEMBL7996831

CN1c2ccc([N+](=O)[O-])cc2N(C)C1(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.66
CASP1 P29466 1/20 0.51
CASP3 P42574 1/20 0.51
CASP4 P49662 1/20 0.51
CASP7 P55210 1/20 0.51
CASP9 P55211 1/20 0.51
CASP6 P55212 1/20 0.51
ESPL1 Q14674 2/20 0.49
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 2/20 0.46
APAF1 O14727 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
MCL1 Q07820 1/20 0.45
SNCA P37840 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
SCHEMBL8000251 0.81 L3MBTL1 (0.57) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL17378553 0.81 L3MBTL1 (0.57) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL8000338 0.80 L3MBTL1 (0.56) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL27828841 0.78 L3MBTL1 (0.54) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL9499652 0.76 L3MBTL1 (0.51) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL9590694 0.75 CASP1 (0.54) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL7996827 0.74 L3MBTL1 (0.50) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL16736615 0.74 L3MBTL1 (0.50) L3MBTL1CASP1CASP3CASP4CASP7
SCHEMBL25137336 0.71 KDM4E (0.42) L3MBTL1MAPTALDH1A1TDP1GAA
SCHEMBL2144620 0.70 CASP1 (0.49) L3MBTL1CASP1CASP3CASP4CASP7

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-6280884-B1 HOLOGRAPHIC STORAGE IN PHOTOREFRACTIVE POLYMERIC OPTICAL ARTICLE, EXPOSURE TO ELECTROMAGNETIC RADIATION WITH INTERSECTING BEAMS INTERNATIONAL BUSINESS MACHINES CORPORATION 2001-08-28 US claimed
US-5607799-A NONPHOTOCONDUCTIVE POLYMER, BENZIMIDAZOLINE, SENSITIZER INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1997-03-04 US claimed
US-6280884-B1 HOLOGRAPHIC STORAGE IN PHOTOREFRACTIVE POLYMERIC OPTICAL ARTICLE, EXPOSURE TO ELECTROMAGNETIC RADIATION WITH INTERSECTING BEAMS INTERNATIONAL BUSINESS MACHINES CORPORATION 2001-08-28 US disclosed
US-5719690-A Photorefractive glass article INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1998-02-17 US disclosed
US-5607799-A NONPHOTOCONDUCTIVE POLYMER, BENZIMIDAZOLINE, SENSITIZER INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1997-03-04 US disclosed