SCHEMBL6693713

SCHEMBL6693713

N#Cc1ccccc1NC(=O)NCCCl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.59
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 4/20 0.57
GLA P06280 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CXCR2 P25025 1/20 0.47
NLRP3 Q96P20 1/20 0.46

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
SCHEMBL29128713 0.85 GAA (0.59) GAAKDM4EALDH1A1GLAL3MBTL1
SCHEMBL31498845 0.81 GAA (0.62) GAAKDM4EALDH1A1GLAL3MBTL1
SCHEMBL4002920 0.81 GAA (0.65) GAAKDM4EALDH1A1GLAL3MBTL1
SCHEMBL9414768 0.78 GAA (0.61) GAAKDM4EALDH1A1GLAL3MBTL1
SCHEMBL15914249 0.77 GAA (0.53) GAAKDM4EALDH1A1GLAL3MBTL1
SCHEMBL15914251 0.77 GAA (0.53) GAAKDM4EALDH1A1GLAL3MBTL1
SCHEMBL15914250 0.77 GAA (0.53) GAAKDM4EALDH1A1GLAL3MBTL1
SCHEMBL12956393 0.75 GAA (0.52) GAAKDM4EALDH1A1GLAL3MBTL1
SCHEMBL27875640 0.75 KDM4E (0.58) GAAKDM4EALDH1A1GLAL3MBTL1
SCHEMBL8458301 0.75 CFD (0.65) GAAKDM4EALDH1A1L3MBTL1HSD17B10

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-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 WO disclosed