SCHEMBL3815019

SCHEMBL3815019

CC1(CCc2ccccc2)N=NN=N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.39
ALOX12 P18054 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
ATM Q13315 1/20 0.39
BACE1 P56817 2/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2A6 P11509 1/20 0.38
HTR2A P28223 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
KCNH2 Q12809 1/20 0.38
ELANE P08246 1/20 0.37
KDM1A O60341 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
SCHEMBL5277481 0.78 ELANE (0.40) GAABACE1ELANEMAOAMAOB
SCHEMBL9872861 0.75 MAOB (0.45) HPGDALOX12ALDH1A1ALOX15CASP1
SCHEMBL5247853 0.72 TDP1 (0.45) GAAHPGDALOX12ALDH1A1ALOX15
SCHEMBL28197496 0.71 HPGD (0.44) GAAL3MBTL1HPGDALOX12ALDH1A1
SCHEMBL27639939 0.71 KDM1A (0.38) HPGDALOX12ALDH1A1ALOX15CASP1
Hydrochloric Acid SCHEMBL28436457 0.69 GAA (0.47) GAAL3MBTL1HPGDALOX12ALDH1A1
SCHEMBL22013858 0.67 GAA (0.41) GAAL3MBTL1HPGDALOX12ALDH1A1
SCHEMBL6647779 0.67 OPRM1 (0.44) HPGDALOX12ALDH1A1ALOX15CASP1
SCHEMBL15355130 0.67 OPRM1 (0.44) HPGDALOX12ALDH1A1ALOX15CASP1
SCHEMBL7997821 0.67 GAA (0.41) GAAL3MBTL1HPGDALOX12ALDH1A1

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
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed