SCHEMBL4746075

SCHEMBL4746075

COc1ccccc1CNCc1cc2cc(C)ccc2[nH]c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.65
MAPT P10636 7/20 0.65
ALDH1A1 P00352 6/20 0.65
HPGD P15428 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
APAF1 O14727 1/20 0.57
RECQL P46063 1/20 0.57
HSD17B10 Q99714 4/20 0.57
GAA P10253 4/20 0.57
ALOX15 P16050 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
IDH1 O75874 2/20 0.57
TSHR P16473 2/20 0.57
POLB P06746 2/20 0.54
TAAR1 Q96RJ0 1/20 0.53
ALOX12 P18054 1/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL4114418 0.83 KDM4E (0.71) KDM4EMAPTALDH1A1HPGDTDP1
SCHEMBL14068783 0.79 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4746065 0.79 RXFP1 (0.57) KDM4EMAPTALDH1A1HPGDTDP1
SCHEMBL4745002 0.77 ALDH1A1 (0.67) KDM4EMAPTALDH1A1HPGDTDP1
SCHEMBL4746162 0.74 KDM4E (0.70) KDM4EMAPTALDH1A1HPGDTDP1
SCHEMBL22184914 0.73 KDM4E (0.72) KDM4EMAPTALDH1A1HPGDTDP1
SCHEMBL17603336 0.73 IDH1 (1.00) IDH1
SCHEMBL5695121 0.72 ALDH1A1 (0.79) KDM4EMAPTALDH1A1TDP1RECQL
SCHEMBL27764047 0.70 KDM4E (0.64) KDM4EMAPTALDH1A1HPGDTDP1
SCHEMBL16938463 0.70 KDM4E (0.53) KDM4EMAPTALDH1A1HPGDAPAF1

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