SCHEMBL2429422

SCHEMBL2429422

COC(=O)Oc1cccc2c1[nH]c1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 6/20 0.51
FTO Q9C0B1 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KIF11 P52732 3/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
JAK2 O60674 1/20 0.47
HTT P42858 1/20 0.47
KLK7 P49862 1/20 0.47
MPL P40238 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
IDO1 P14902 1/20 0.46
PTPN1 P18031 1/20 0.46
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
NR4A2 P43354 2/20 0.44

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
SCHEMBL27500727 0.91 PARP14 (0.49) PARP14FTOHSD17B10KIF11TP53
SCHEMBL11584101 0.87 EGFR (0.46) PARP14FTOKDM4EHPGDHSD17B10
SCHEMBL4786156 0.84 SLC22A6 (0.55) PARP14FTOKDM4EHPGDHSD17B10
SCHEMBL9676604 0.84 ALDH1A1 (0.59) PARP14FTOKDM4EHPGDHSD17B10
SCHEMBL3924071 0.84 PARP14 (0.50) PARP14FTOKDM4EKIF11TP53
SCHEMBL15560416 0.83 KIF11 (0.47) PARP14FTOKDM4EHPGDHSD17B10
SCHEMBL11537835 0.82 KIF11 (0.45) PARP14FTOKDM4EHPGDHSD17B10
SCHEMBL6601301 0.82 PARP14 (0.51) PARP14FTOKDM4EKIF11TP53
SCHEMBL29001995 0.82 KIF11 (0.44) PARP14KIF11TP53MAPTJAK2
SCHEMBL2935664 0.81 KIF11 (0.44) PARP14FTOKDM4EHPGDHSD17B10

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-2011116865-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-09-29 WO disclosed