SCHEMBL9847274

SCHEMBL9847274

CN(C)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
HSD17B10 Q99714 2/20 0.61
RECQL P46063 1/20 0.61
GAA P10253 2/20 0.56
MAPT P10636 5/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
ACHE P22303 1/20 0.50
PTGES O14684 1/20 0.50
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
HTT P42858 1/20 0.47
CA12 O43570 1/20 0.47

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
SCHEMBL8770451 0.80 GAA (0.57) ALDH1A1HSD17B10RECQLGAAMAPT
SCHEMBL28323076 0.78 GAA (0.55) ALDH1A1HSD17B10RECQLGAAMAPT
SCHEMBL9847279 0.77 SMN1; SMN2 (0.58) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL177790 0.76 ALDH1A1 (1.00) ALDH1A1HSD17B10RECQLGAAMAPT
SCHEMBL20377071 0.75 ALDH1A1 (0.61) ALDH1A1HSD17B10RECQLGAAMAPT
SCHEMBL4957626 0.75 HPGD (0.83) ALDH1A1HSD17B10RECQLGAAMAPT
SCHEMBL395942 0.75 HPGD (0.83) ALDH1A1HSD17B10RECQLGAAMAPT
SCHEMBL18289621 0.75 HPGD (0.83) ALDH1A1HSD17B10RECQLGAAMAPT
SCHEMBL16986581 0.75 ALDH1A1 (0.67) ALDH1A1HSD17B10RECQLGAAMAPT
SCHEMBL18289622 0.75 HPGD (0.83) ALDH1A1HSD17B10RECQLGAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1807223-A Dynamic molecule base electron device based on hydrazine derived biological molecular material UNIV FUDAN (CN) 2006-07-26 CN disclosed
EP-0406888-A2 Nonlinear optical polymer composition and method for producing the same SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-01-09 EP disclosed