SCHEMBL14409702

SCHEMBL14409702

Nc1ccc(N2CCN(CCOCCO)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
RAD52 P43351 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 3/20 0.49
ADRA2C P18825 3/20 0.49
KMT2A Q03164 1/20 0.49
PTK2B Q14289 1/20 0.49
ESR2 Q92731 1/20 0.49
BCL2A1 Q16548 1/20 0.48
HTR1A P08908 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DRD2 P14416 3/20 0.44
HTR2A P28223 3/20 0.44
HRH1 P35367 3/20 0.44

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
SCHEMBL22266161 0.84 KCNH2 (0.62) ADRA2CKMT2AHTR1ALMNADRD2
SCHEMBL6152013 0.84 MAPT (0.59) GFERKDM4EMAPTGAARAD52
SCHEMBL1364675 0.84 MAPT (0.59) GFERKDM4EMAPTGAARAD52
SCHEMBL188852 0.84 MAPT (0.62) GFERKDM4EMAPTGAARAD52
SCHEMBL6150880 0.84 MAPT (0.62) GFERKDM4EMAPTGAARAD52
SCHEMBL6151437 0.84 MAPT (0.62) GFERKDM4EMAPTGAARAD52
SCHEMBL1809859 0.83 KDM4E (0.63) GFERKDM4EMAPTGAARAD52
SCHEMBL27937113 0.83 HTR1A (0.48) KDM4EALDH1A1ADRA2CKMT2ABCL2A1
SCHEMBL14204012 0.82 LTA4H (0.61) ALDH1A1KMT2AHTR1ADRD3CYP2D6
SCHEMBL9354477 0.81 ALDH1A1 (0.53) KDM4ESMN1; SMN2ALDH1A1ADRA2CKMT2A

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
WO-2014183300-A1 VEGFR TYROSINE KINASE INHIBITORS SUZHOU VIVOTIDE BIOTECHNOLOGIES CO., LTD. (CN) 2014-11-20 WO disclosed
EP-1567522-B1 PYRIMIDINE COMPOUNDS CYCLACEL LTD (GB) 2007-09-19 EP disclosed