SCHEMBL11540901

SCHEMBL11540901

COC(=O)NNC(=O)Nc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.69
LMNA P02545 2/20 0.69
HTT P42858 1/20 0.69
SMN1; SMN2 Q16637 5/20 0.59
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 2/20 0.59
TP53 P04637 1/20 0.59
EPHX1 P07099 1/20 0.59
TSHR P16473 1/20 0.59
EPHX2 P34913 1/20 0.59
CDK9 P50750 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
CYP2C19 P33261 1/20 0.57
RECQL P46063 1/20 0.57
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
KMT2A Q03164 5/20 0.54
POLB P06746 4/20 0.54
CTDSP1 Q9GZU7 3/20 0.54
MEN1 O00255 2/20 0.54

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
SCHEMBL30065871 0.84 EPHX2 (0.54) GAALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL27846204 0.82 POLB (0.61) GAALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL10419324 0.82 GAA (0.68) GAALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29191732 0.81 MEN1 (0.60) GAALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL10836155 0.81 GAA (1.00) GAALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL29191763 0.81 GAA (0.71) GAALMNASMN1; SMN2TSHRMAOA
SCHEMBL282531 0.81 SMN1; SMN2 (0.71) GAALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL29191736 0.80 NPC1 (0.59) GAALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL8884482 0.79 SMN1; SMN2 (0.69) GAALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL16374950 0.78 SMN1; SMN2 (0.67) GAASMN1; SMN2ALDH1A1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4170706-A Method for preparing the bispicrate salt of 2,3,7,8-tetraazaspiro[4.4]nonane THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1979-10-09 US disclosed
US-4170707-A Method for preparing 3,8-dicarbomethoxy-2,3,7,8-tetraazaspiro[4.4]nona-1,6-diene THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1979-10-09 US disclosed
US-4125728-A Method for preparing 2,3,7,8-tetraazaspiro[4,4]nona-2,7-diene THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1978-11-14 US disclosed
US-4066833-A 2,3,7,8-Tetraazaspiro [4.4]nonane, 2,3,7,8-tetraazaspiro-[4.4]nona-2,7-diene and derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1978-01-03 US disclosed