SCHEMBL16627731

SCHEMBL16627731

Cc1ccc(Nc2cc3ccccc3[nH]c2=O)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47
HTT P42858 1/20 0.47
DAO P14920 1/20 0.44
DDO Q99489 1/20 0.44
GAA P10253 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HIF1A Q16665 1/20 0.42
CHEK1 O14757 1/20 0.42
KDR P35968 1/20 0.42
HPGD P15428 2/20 0.42
PTK6 Q13882 1/20 0.41
STING1 Q86WV6 1/20 0.40

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
SCHEMBL16627659 0.85 BRD4 (0.58) BRD4KMT2AMEN1MAPTRAB9A
SCHEMBL16627639 0.82 PYGM (0.55) BRD4KMT2AMEN1MAPTRAB9A
SCHEMBL16627732 0.80 DAO (0.55) BRD4KMT2AMEN1MAPTRAB9A
SCHEMBL16627647 0.79 DAO (0.54) BRD4KMT2AMEN1MAPTRAB9A
SCHEMBL16627633 0.79 BRD4 (0.46) BRD4KMT2AMEN1MAPTRAB9A
SCHEMBL16627640 0.78 BRD4 (0.45) BRD4KMT2AMEN1MAPTRAB9A
SCHEMBL16627634 0.76 DAO (0.46) BRD4MAPTSMN1; SMN2DAODDO
SCHEMBL16627631 0.76 BRD4 (0.43) BRD4KMT2AMEN1MAPTDAO
SCHEMBL34468855 0.76 KMT2A (0.62) BRD4KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL16627660 0.75 HPGD (0.50) BRD4KMT2AMEN1MAPTHTT

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