SCHEMBL27851787

SCHEMBL27851787

[N-]=[N+]=Nc1ccccc1NC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ F2R P25116 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ SIGMAR1 Q99720 5/20 0.37
▸ GRIN2D O15399 4/20 0.37
▸ GRIN3B O60391 4/20 0.37
▸ GRIN1 Q05586 4/20 0.37
▸ GRIN2A Q12879 4/20 0.37
▸ GRIN2B Q13224 4/20 0.37
▸ GRIN2C Q14957 4/20 0.37
▸ GRIN3A Q8TCU5 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL9921289 0.79 GAA (0.52) GAAKDM4EMAPTGFERPOLB
SCHEMBL1096891 0.77 GAA (0.50) GAAKDM4EMAPTGFERPOLB
SCHEMBL29840068 0.76 GAA (0.67) GAAKDM4EMAPTGFERPOLB
SCHEMBL3928666 0.76 GAA (0.67) GAAKDM4EMAPTGFERPOLB
SCHEMBL29442195 0.74 ALDH1A1 (0.50) GAAKDM4EF2RMAPTALDH1A1
SCHEMBL16371787 0.74 ALDH1A1 (0.50) GAAKDM4EF2RMAPTALDH1A1
SCHEMBL29111182 0.73 F2R (0.32) F2R
Hydrochloric Acid SCHEMBL29790733 0.73 ALDH1A1 (0.49) GAAKDM4EF2RMAPTALDH1A1
SCHEMBL25298603 0.72 LMNA (0.39) F2RALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL17848058 0.71 MTNR1A (0.52) F2RALDH1A1LMNA

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
CN-102026667-B Pharmaceutical compositions of paclitaxel, paclitaxel analogs or paclitaxel conjugates and related methods of preparation and use ANGIOCHEM INC 2014-06-25 — — CN disclosed
CN-103080125-A Short and D-amino acid-containing polypeptides for therapeutic conjugates and uses thereof ANGIOCHEM INC 2013-05-01 — — CN disclosed
CN-102781965-A Compositions and methods for the transport of therapeutic agents ANGIOCHEM INC 2012-11-14 — — CN disclosed
CN-102596993-A Multimeric peptide conjugates and uses thereof ANGIOCHEM INC 2012-07-18 — — CN disclosed
CN-102026667-A Pharmaceutical compositions of paclitaxel, paclitaxel analogs or paclitaxel conjugates and related methods of preparation and use ANGIOCHEM INC 2011-04-20 — — CN disclosed
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