SCHEMBL16627592

SCHEMBL16627592

O=C(Cc1ccc(O)cc1)Nc1cccc2[nH]c(=O)c(C(=O)NCCc3ccc(Br)cc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
NLRP3 Q96P20 1/20 0.42
GAA P10253 1/20 0.41
SYK P43405 1/20 0.40
HTT P42858 1/20 0.40
TOP2A P11388 1/20 0.40
PARP14 Q460N5 3/20 0.40
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL16627825 0.83 KMT2A (0.53) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL16627710 0.82 KMT2A (0.52) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL16627828 0.79 PARP14 (0.52) KDM4EALDH1A1KMT2AMEN1NLRP3
SCHEMBL16627690 0.76 RXFP1 (0.40) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL16627593 0.75 KDM4E (0.51) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL16627727 0.73 HTT (0.44) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL16627729 0.73 HTT (0.48) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL16627869 0.71 ALDH1A1 (0.43) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL16627678 0.71 PARP14 (0.52) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL16627890 0.70 PARP14 (0.56) KDM4EALDH1A1KMT2AMEN1NPC1

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