SCHEMBL4746968

SCHEMBL4746968

Cc1cccc2cc(CNCc3ccccc3Cl)c(=O)[nH]c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.63
KDM4E B2RXH2 9/20 0.51
HSD17B10 Q99714 5/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 7/20 0.50
TAAR1 Q96RJ0 2/20 0.50
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GLA P06280 1/20 0.48
DAO P14920 1/20 0.48
DDO Q99489 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL4745410 0.85 RXFP1 (0.69) RXFP1KDM4EHSD17B10USP2ALDH1A1
SCHEMBL4746065 0.83 RXFP1 (0.57) RXFP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL4743044 0.82 RXFP1 (0.56) RXFP1KDM4EHSD17B10ALDH1A1TAAR1
SCHEMBL4743608 0.79 RXFP1 (0.53) RXFP1KDM4EHSD17B10USP2ALDH1A1
SCHEMBL14068682 0.78 HSD17B10 (0.61) KDM4EHSD17B10USP2ALDH1A1SMN1; SMN2
SCHEMBL4072838 0.76 KDM4E (0.61) RXFP1KDM4EHSD17B10USP2ALDH1A1
SCHEMBL26096928 0.76 NSD2 (0.57) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL24970979 0.75 DAO (0.65) RXFP1KDM4EHSD17B10USP2ALDH1A1
SCHEMBL5460835 0.74 KDM4E (0.57) RXFP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL17505178 0.73 KDM4E (0.61) RXFP1KDM4EHSD17B10USP2ALDH1A1

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 3 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
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