SCHEMBL5804188

SCHEMBL5804188

N#Cc1cnn2c(-c3cccc(Br)c3)ccnc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.71
ALDH1A1 P00352 3/20 0.71
HPGD P15428 2/20 0.71
CLK4 Q9HAZ1 2/20 0.71
MAPK1 P28482 2/20 0.58
GABRA1 P14867 1/20 0.58
GABRG2 P18507 1/20 0.58
GABRB3 P28472 1/20 0.58
GABRA2 P47869 1/20 0.58
GABRB2 P47870 1/20 0.58
AOX1 Q06278 1/20 0.58
PDE3A Q14432 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
MDM2 Q00987 1/20 0.52
KDM4D Q6B0I6 1/20 0.48
GLA P06280 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TLR8 Q9NR97 1/20 0.43
MAPT P10636 1/20 0.43
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL30579799 0.85 KDM4E (0.71) KDM4EALDH1A1HPGDCLK4MAPK1
SCHEMBL30579781 0.85 KDM4E (0.71) KDM4EALDH1A1HPGDCLK4MAPK1
SCHEMBL9468197 0.85 KDM4E (0.71) KDM4EALDH1A1HPGDCLK4MAPK1
SCHEMBL3162634 0.85 KDM4E (0.72) KDM4EALDH1A1HPGDCLK4MAPK1
SCHEMBL9468711 0.85 KDM4E (0.71) KDM4EALDH1A1HPGDCLK4MAPK1
SCHEMBL9468787 0.84 KDM4E (1.00) KDM4EALDH1A1HPGDCLK4MAPK1
SCHEMBL3160485 0.81 KDM4E (1.00) KDM4EALDH1A1HPGDCLK4MAPK1
SCHEMBL3162700 0.81 SMN1; SMN2 (0.74) KDM4EALDH1A1HPGDCLK4MAPK1
SCHEMBL3166111 0.80 KDM4E (0.77) KDM4EALDH1A1HPGDCLK4MAPK1
SCHEMBL9468732 0.80 KDM4E (0.64) KDM4EALDH1A1HPGDCLK4MAPK1

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-2006070244-A2 A PROCESS FOR THE PREPARATION OF ZALEPLON KHAMAR BAKULESH MAFATLAL (IN) 2006-07-06 WO claimed
WO-2006070244-A2 A PROCESS FOR THE PREPARATION OF ZALEPLON KHAMAR BAKULESH MAFATLAL (IN) 2006-07-06 WO disclosed