SCHEMBL16627845

SCHEMBL16627845

CCc1ccc(N(C)C(=O)c2cc3c(NC(=O)CF)cccc3[nH]c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.35
PARP14 Q460N5 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
DAO P14920 1/20 0.35
DDO Q99489 1/20 0.35
GUSB P08236 1/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
TAOK1 Q7L7X3 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL16627855 0.82 KDM4E (0.40) KDM4EPARP14ALDH1A1CYP2C9HPGD
SCHEMBL16627680 0.81 PARP14 (0.48) KDM4ENPSR1PARP14ALDH1A1CYP2C9
SCHEMBL16627854 0.81 KDM4E (0.39) KDM4EPARP14ALDH1A1CYP2C9HPGD
SCHEMBL16627840 0.77 MEN1 (0.46) KDM4ETSHRALDH1A1HPGDGAA
SCHEMBL16627614 0.73 PADI4 (0.39) KDM4EPOLBALDH1A1MAPTHSP90AA1
SCHEMBL16627896 0.72 PARP1 (0.40) KDM4ENPSR1HTTPARP14ALDH1A1
SCHEMBL16627787 0.71 PARP14 (0.47) KDM4ENPSR1TSHRPARP14ALDH1A1
SCHEMBL16627610 0.71 PADI4 (0.38) KDM4EPOLBALDH1A1MAPTHSP90AA1
SCHEMBL16627783 0.71 PARP14 (0.47) KDM4ENPSR1POLBPARP14ALDH1A1
SCHEMBL16627784 0.69 ALDH1A1 (0.46) KDM4ENPSR1POLBPARP14ALDH1A1

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