SCHEMBL8000251

SCHEMBL8000251

CN1c2ccc([N+](=O)[O-])cc2N(C)C12CCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
ESPL1 Q14674 3/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
MCL1 Q07820 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 2/20 0.45
CASP6 P55212 2/20 0.45
CASP1 P29466 1/20 0.45
CASP3 P42574 1/20 0.45
CASP4 P49662 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
ALDH1A1 P00352 9/20 0.44
LMNA P02545 3/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8000338 0.98 L3MBTL1 (0.56) L3MBTL1ESPL1KDM4EMAPTMCL1
SCHEMBL7996831 0.81 L3MBTL1 (0.66) L3MBTL1ESPL1MAPTMCL1GAA
SCHEMBL7996827 0.80 L3MBTL1 (0.50) L3MBTL1KDM4EMAPTGAACASP6
SCHEMBL17378553 0.74 L3MBTL1 (0.57) L3MBTL1ESPL1MAPTMCL1GAA
SCHEMBL25137348 0.74 KDM4E (0.37) KDM4EMAPTGAAALDH1A1KMT2A
SCHEMBL25137345 0.73 KDM4E (0.39) KDM4EMAPTGAAALDH1A1KMT2A
SCHEMBL9499652 0.73 L3MBTL1 (0.51) L3MBTL1GAACASP6CASP1CASP3
SCHEMBL27828841 0.72 L3MBTL1 (0.54) L3MBTL1ESPL1MAPTGAACASP6
SCHEMBL4841828 0.69 CASP6 (0.44) L3MBTL1ESPL1KDM4EMAPTMCL1
SCHEMBL9590694 0.69 CASP1 (0.54) L3MBTL1ESPL1MAPTMCL1GAA

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 6 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
US-5361148-A Apparatus for photorefractive two beam coupling INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-11-01 US disclosed