SCHEMBL16627770

SCHEMBL16627770

COc1ccc(CCn2c(=O)c(C(=O)NCCc3ccc(O)cc3)cc3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
POLB P06746 3/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
AHR P35869 1/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.50
SLC6A5 Q9Y345 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
AKR1B10 O60218 1/20 0.50
AKR1B1 P15121 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
TP53 P04637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SYK P43405 1/20 0.47
DNMT3A Q9Y6K1 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
SCHEMBL16627829 0.86 KMT2A (0.49) KMT2APOLBMEN1LMNASMN1; SMN2
SCHEMBL16627834 0.85 KMT2A (0.53) KMT2APOLBMEN1LMNASMN1; SMN2
SCHEMBL16627581 0.82 CNR1 (0.54) KMT2AMEN1LMNAAHRSLC6A5
SCHEMBL16627830 0.81 CNR1 (0.47) KMT2APOLBMEN1SMN1; SMN2AHR
SCHEMBL25474382 0.79 KMT2A (0.62) KMT2APOLBMEN1SMN1; SMN2GAA
SCHEMBL16627697 0.77 CNR2 (0.49) KMT2APOLBMEN1AHRMAPT
SCHEMBL5438302 0.76 KMT2A (0.55) KMT2APOLBMEN1LMNAMAPT
SCHEMBL16627827 0.75 AHR (0.49) KMT2AMEN1SMN1; SMN2AHRMAPT
SCHEMBL16627772 0.74 RAB9A (0.47) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL11053552 0.74 CA1 (0.56) KMT2APOLBMEN1LMNASMN1; SMN2

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-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed