SCHEMBL4746065

SCHEMBL4746065

COc1ccccc1CNCc1cc2cccc(C)c2[nH]c1=O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.57
KDM4E B2RXH2 11/20 0.57
ALDH1A1 P00352 9/20 0.57
HSD17B10 Q99714 6/20 0.57
TSHR P16473 2/20 0.57
LMNA P02545 3/20 0.56
MAPT P10636 1/20 0.56
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 3/20 0.50
ATM Q13315 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GLA P06280 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL4743608 0.86 RXFP1 (0.53) RXFP1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL4746968 0.83 RXFP1 (0.63) RXFP1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL4745410 0.83 RXFP1 (0.69) RXFP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4745088 0.81 ALDH1A1 (0.57) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL14068786 0.81 KDM4E (0.68) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL4743044 0.80 RXFP1 (0.56) RXFP1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL4743064 0.79 KDM4E (0.71) RXFP1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL14068800 0.79 KDM4E (0.71) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL14068380 0.79 KDM4E (0.68) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL4746075 0.79 KDM4E (0.65) 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 disclosed
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