SCHEMBL11544772

SCHEMBL11544772

CCNC(=O)c1cccc(NC(=O)CC(C)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
PARP1 P09874 1/20 0.50
PARP10 Q53GL7 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
NR4A1 P22736 1/20 0.49
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 2/20 0.47
SMYD3 Q9H7B4 1/20 0.47

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
SCHEMBL13753759 0.86 RAB9A (0.60) GAAKMT2AALDH1A1MEN1KDM4E
SCHEMBL11544934 0.85 ALDH1A1 (0.53) GAAL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL11551280 0.84 KMT2A (0.67) L3MBTL1KMT2AALDH1A1MEN1KDM4E
SCHEMBL28145662 0.83 KCNK3 (0.57) GAAL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL2562988 0.81 SMN1; SMN2 (0.59) L3MBTL1KMT2AALDH1A1MEN1KDM4E
SCHEMBL18893269 0.81 SMN1; SMN2 (0.50) GAAL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL8752439 0.81 MEN1 (0.66) GAAKMT2AALDH1A1MEN1KDM4E
SCHEMBL11545396 0.80 PARP1 (0.74) L3MBTL1KMT2AALDH1A1MEN1KDM4E
SCHEMBL20095441 0.80 SMN1; SMN2 (0.51) GAAL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL10294885 0.80 SMN1; SMN2 (0.51) GAAL3MBTL1KMT2AALDH1A1MEN1

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
US-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 US disclosed