SCHEMBL7900406

SCHEMBL7900406

CN(C)c1ccccc1C=[N+]([O-])C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GSK3B P49841 1/20 0.36
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR6 P50406 1/20 0.33
GAA P10253 3/20 0.32
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHEK1 O14757 1/20 0.32
NEK2 P51955 1/20 0.32
LIMK1 P53667 1/20 0.32

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
SCHEMBL7896873 0.79 MITF (0.45) CA12CA1CA2CA4CA9
SCHEMBL28558607 0.77 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATSHRHSD17B10
SCHEMBL7896166 0.75 ALDH1A1 (0.43) CA12CA1CA2CA4CA9
SCHEMBL14390523 0.74 MEN1 (0.42) ALDH1A1MEN1KMT2ATDP1
SCHEMBL7921428 0.74 NFE2L2 (0.45) ALDH1A1MEN1KMT2AMAPT
SCHEMBL14992770 0.74 ALDH1A1 (0.42) CA12CA1CA2CA4CA9
SCHEMBL14992771 0.74 ALDH1A1 (0.42) CA12CA1CA2CA4CA9
SCHEMBL4711162 0.74 ALDH1A1 (0.42) CA12CA1CA2CA4CA9
SCHEMBL15216528 0.74 NFE2L2 (0.45) ALDH1A1MEN1KMT2AMAPT
SCHEMBL8293540 0.72 MEN1 (0.41) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed