SCHEMBL16627710

SCHEMBL16627710

O=Nc1ccc(CC(=O)Nc2cccc3[nH]c(=O)c(C(=O)NCCc4ccc(Cl)cc4)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
PARP14 Q460N5 2/20 0.46
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 4/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
CNR1 P21554 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.39
PTGS2 P35354 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 0.90 KMT2A (0.53) KMT2APARP14MAPTLMNATP53
SCHEMBL16627592 0.82 MT-CO2 (0.44) KMT2APARP14ALDH1A1KDM4EMEN1
SCHEMBL16627760 0.79 CCNA2 (0.45) KMT2APARP14POLBRXFP1TDP1
SCHEMBL16627828 0.79 PARP14 (0.52) KMT2APARP14MAPTLMNATP53
SCHEMBL16627678 0.79 PARP14 (0.52) KMT2APARP14MAPTLMNATP53
SCHEMBL16627869 0.75 ALDH1A1 (0.43) KMT2AMAPTTDP1ALDH1A1KDM4E
SCHEMBL16627729 0.71 HTT (0.48) KMT2AMAPTLMNATP53POLB
SCHEMBL16627727 0.71 HTT (0.44) KMT2AMAPTLMNAPOLBRXFP1
SCHEMBL16627890 0.69 PARP14 (0.56) KMT2APARP14MAPTLMNAPOLB
SCHEMBL16627806 0.69 NHERF1 (0.49) KMT2AMAPTTP53POLBRXFP1

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