SCHEMBL4743044

SCHEMBL4743044

Cc1cccc2cc(CNCc3ccccc3C(F)(F)F)c(=O)[nH]c12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.56
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 6/20 0.48
GLA P06280 1/20 0.48
HSD17B10 Q99714 4/20 0.48
SCN8A Q9UQD0 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DAO P14920 1/20 0.45
DDO Q99489 1/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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 0.83 RXFP1 (0.53) RXFP1KDM4EALDH1A1GLAHSD17B10
SCHEMBL4746968 0.82 RXFP1 (0.63) RXFP1KDM4EALDH1A1GLAHSD17B10
SCHEMBL4745410 0.82 RXFP1 (0.69) RXFP1KDM4EALDH1A1GLAHSD17B10
SCHEMBL4746065 0.80 RXFP1 (0.57) RXFP1KDM4EALDH1A1GLAHSD17B10
SCHEMBL14068807 0.79 ALDH1A1 (0.54) KDM4EALDH1A1GLAHSD17B10SMN1; SMN2
SCHEMBL4072838 0.74 KDM4E (0.61) RXFP1KDM4EALDH1A1GLAHSD17B10
SCHEMBL13436118 0.71 SCN8A (0.54) KDM4EALDH1A1SCN8ANPSR1ATM
SCHEMBL5460835 0.71 KDM4E (0.57) RXFP1KDM4EALDH1A1GLAHSD17B10
SCHEMBL17505178 0.70 KDM4E (0.61) RXFP1KDM4EALDH1A1GLAHSD17B10
SCHEMBL12559601 0.67 DAO (0.71) RXFP1KDM4EALDH1A1GLAHSD17B10

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