SCHEMBL5202019

SCHEMBL5202019

CCN(CC(=O)O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
NOX1 Q9Y5S8 1/20 0.45
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
ALOX5 P09917 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL50189 0.82 L3MBTL1 (0.52) KDM4EL3MBTL1MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL11760188 0.80 L3MBTL1 (0.50) KDM4EL3MBTL1MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL9638886 0.80 L3MBTL1 (0.50) KDM4EL3MBTL1MEN1KMT2ARAB9A
Sulfuric Acid SCHEMBL9403580 0.79 L3MBTL1 (0.51) KDM4EL3MBTL1MEN1KMT2ARAB9A
SCHEMBL9795719 0.79 TP53 (0.51) KDM4EL3MBTL1MEN1KMT2ARAB9A
SCHEMBL7716881 0.76 KDM4E (0.47) KDM4EL3MBTL1MEN1KMT2ARAB9A
SCHEMBL13718741 0.75 L3MBTL1 (0.47) KDM4EL3MBTL1RAB9AALDH1A1GAA
SCHEMBL10640120 0.73 KDM4E (0.45) KDM4EL3MBTL1MEN1KMT2ARAB9A
Sulfuric Acid SCHEMBL3630424 0.73 L3MBTL1 (0.45) KDM4EL3MBTL1MEN1KMT2ARAB9A
SCHEMBL9214734 0.72 KDM4E (0.47) KDM4EL3MBTL1MEN1KMT2ARAB9A

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
EP-1805197-A1 HEMATOLOGICAL CANCER PROFILING SYSTEM Med Biogene Inc (CA) 2007-07-11 EP disclosed
WO-2006034573-A1 HEMATOLOGICAL CANCER PROFILING SYSTEM MED BIOGENE INC. (CA) 2006-04-06 WO disclosed