SCHEMBL7896166

SCHEMBL7896166

CN(C)c1ccccc1C=[N+]([O-])c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
MAPT P10636 8/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
RECQL P46063 1/20 0.43
G6PD P11413 2/20 0.40
CHEK1 O14757 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL9653746 0.83 ALDH1A1 (0.41) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL7896873 0.79 MITF (0.45) ALDH1A1MAPTTSHRCHEK1NEK2
SCHEMBL11415884 0.76 ALDH1A1 (0.47) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL7900406 0.75 CA12 (0.37) ALDH1A1MAPTTSHRCHEK1NEK2
SCHEMBL2491893 0.74 GSK3B (0.44) ALDH1A1MAPTTSHRCHEK1NEK2
SCHEMBL12416719 0.72 ALDH1A1 (0.47) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL5321068 0.72 ALDH1A1 (0.47) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL11411170 0.72 G6PD (0.52) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL4811865 0.72 ALDH1A1 (0.47) ALDH1A1MAPTALOX15TSHRRECQL
SCHEMBL11406964 0.72 ALDH1A1 (0.56) ALDH1A1MAPTALOX15TSHRRECQL

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