SCHEMBL16627784

SCHEMBL16627784

CCCCC(=O)Nc1cccc2[nH]c(=O)c(C(=O)N(CC)c3ccc(C)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.39
PARP14 Q460N5 1/20 0.39
GAA P10253 2/20 0.39
CETP P11597 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL16627783 0.87 PARP14 (0.47) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL16627787 0.82 PARP14 (0.47) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL16627896 0.80 PARP1 (0.40) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL16627626 0.79 MAPT (0.47) ALDH1A1KMT2AKDM4EHSD17B10MAPT
SCHEMBL16627718 0.75 MEN1 (0.64) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL16627680 0.72 PARP14 (0.48) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL16627855 0.71 KDM4E (0.40) ALDH1A1HPGDKDM4EHSD17B10PARP14
SCHEMBL15200885 0.70 TP53 (0.44) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL16627845 0.69 KDM4E (0.39) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL16627869 0.69 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AKDM4E

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