SCHEMBL16627727

SCHEMBL16627727

CCSCC(=O)Nc1cccc2[nH]c(=O)c(C(=O)NCCc3ccc4ccccc4c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
KDM4E B2RXH2 4/20 0.43
GAA P10253 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 3/20 0.40
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL16627729 0.86 HTT (0.48) HTTKDM4EGAAABCG2ALDH1A1
SCHEMBL16627739 0.78 SMYD3 (0.50) HTTKDM4EGAAALDH1A1KMT2A
SCHEMBL16627869 0.75 ALDH1A1 (0.43) HTTKDM4EGAAABCG2ALDH1A1
SCHEMBL16627825 0.74 KMT2A (0.53) HTTKDM4EGAAALDH1A1KMT2A
SCHEMBL16627592 0.73 MT-CO2 (0.44) HTTKDM4EGAAABCG2ALDH1A1
SCHEMBL16627710 0.71 KMT2A (0.52) HTTKDM4EGAAALDH1A1KMT2A
SCHEMBL16627616 0.69 PARP1 (0.53) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL16627868 0.69 KDM4E (0.48) HTTKDM4EGAAABCG2ALDH1A1
SCHEMBL16627831 0.69 KDM4E (0.51) KDM4EGAAALDH1A1KMT2AMEN1
SCHEMBL13652655 0.69 MAPT (0.82) HTTKDM4EGAAALDH1A1KMT2A

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