SCHEMBL4743064

SCHEMBL4743064

COc1ccccc1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.71
ALDH1A1 P00352 11/20 0.65
HSD17B10 Q99714 6/20 0.65
TSHR P16473 1/20 0.65
LMNA P02545 3/20 0.64
MAPT P10636 1/20 0.64
TDP1 Q9NUW8 1/20 0.60
TP53 P04637 1/20 0.59
THRB P10828 1/20 0.59
MAPK1 P28482 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ATM Q13315 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL14068800 0.92 KDM4E (0.71) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL14068797 0.90 ALDH1A1 (0.74) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL14068550 0.89 KDM4E (0.71) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL14068539 0.88 ALDH1A1 (0.78) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL4745033 0.86 ALDH1A1 (0.61) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL14068549 0.85 THRB (0.76) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL14068786 0.85 KDM4E (0.68) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL14068380 0.83 KDM4E (0.68) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL14068803 0.80 ALDH1A1 (0.68) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL14068384 0.80 KDM4E (0.59) KDM4EALDH1A1HSD17B10TSHRLMNA

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 2 patents. 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 claimed
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