SCHEMBL4743563

SCHEMBL4743563

COC(=O)c1cc2cccc(C)c2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.59
DDO Q99489 1/20 0.59
KDM4E B2RXH2 12/20 0.58
HSD17B10 Q99714 6/20 0.58
ALDH1A1 P00352 9/20 0.53
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 2/20 0.52
ATM Q13315 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
NR4A2 P43354 1/20 0.51
GLA P06280 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NSD2 O96028 1/20 0.47

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
SCHEMBL18553947 0.85 DAO (0.48) DAODDOKDM4EHSD17B10ALDH1A1
SCHEMBL1882229 0.84 GLA (0.52) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL9264392 0.83 DAO (0.64) DAODDOKDM4EHSD17B10ALDH1A1
SCHEMBL3283667 0.80 NSD2 (0.61) DAODDOKDM4EHSD17B10ALDH1A1
SCHEMBL14127307 0.78 CNR2 (0.46) KDM4EALDH1A1LMNARXFP1NR4A2
SCHEMBL31423313 0.77 KDM4E (0.44) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL3632228 0.77 PADI4 (0.56) DAODDOKDM4EHSD17B10ALDH1A1
SCHEMBL18553954 0.76 ALDH1A1 (0.47) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL12559601 0.76 DAO (0.71) DAODDOKDM4EHSD17B10ALDH1A1
SCHEMBL4745088 0.75 ALDH1A1 (0.57) KDM4EHSD17B10ALDH1A1HPGDLMNA

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-2008113006-A1 METHODS OF USING QUINOLINONE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-09-18 WO disclosed