SCHEMBL5813832

SCHEMBL5813832

O=C(NCCCN1CCOCC1)c1cccnc1

nearest known ligand 0.98

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.98
ALDH1A1 P00352 3/20 0.71
KDM4E B2RXH2 1/20 0.70
HTR1A P08908 1/20 0.69
HTR2A P28223 1/20 0.69
DRD3 P35462 1/20 0.69
TSHR P16473 2/20 0.62
GAA P10253 1/20 0.60

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
SCHEMBL17873924 0.88 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1HTR1AHTR2ADRD3
SCHEMBL17554031 0.88 POLB (0.79) SMN1; SMN2ALDH1A1KDM4EHTR1AHTR2A
SCHEMBL29672523 0.85 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL2772319 0.85 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1HTR1AHTR2ADRD3
SCHEMBL1382764 0.84 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1KDM4ETSHRGAA
SCHEMBL17554140 0.84 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1KDM4EHTR1AHTR2A
SCHEMBL17554169 0.83 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1KDM4EHTR1AHTR2A
SCHEMBL17554081 0.82 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1KDM4ETSHRGAA
SCHEMBL17554021 0.82 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1HTR1AHTR2ADRD3
SCHEMBL30560579 0.82 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1KDM4ETSHRGAA

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
WO-2006068410-A1 NOVEL 3-(2-AMINO-6-PYRIDINYL)-4-HYDROXYPHENYL AMINE DERIVATIVES LG LIFE SCIENCES, LTD. (KR) 2006-06-29 WO claimed