SCHEMBL790927

SCHEMBL790927

COc1cc(Br)ccc1-c1c(N)nc2ccc(I)cc2c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.37
AMY1A P0DUB6 2/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
PRNP P04156 1/20 0.35
HTT P42858 1/20 0.34
SLC2A1 P11166 1/20 0.34
THRB P10828 1/20 0.34
FLT1 P17948 1/20 0.33
EGFR P00533 1/20 0.33
KIT P10721 1/20 0.32
TLR8 Q9NR97 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DHPS P49366 2/20 0.32
GAK O14976 1/20 0.32
RIPK2 O43353 1/20 0.32
COQ8A Q8NI60 1/20 0.32

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
SCHEMBL790597 0.84 ADORA1 (0.39) APPGAAEGFRMAPT
SCHEMBL10277683 0.83 SIK1 (0.39) APPGAAHTT
SCHEMBL789402 0.71 CYP1A2 (0.41) HTTMAPT
SCHEMBL790933 0.68 APP (0.47) APPTLR8MAPTSMN1; SMN2DHPS
SCHEMBL25857602 0.64 AMY1A (0.39) AMY1AMGAMGAASIMGAM2
SCHEMBL205027 0.62 GAA (0.47) APPMGAMGAASIMGAM2
SCHEMBL27164750 0.62 BRD4 (0.43) AMY1AMGAMGAASIMGAM2
SCHEMBL10227176 0.62 AMY1A (0.51) AMY1AMGAMGAASIMGAM2
SCHEMBL790716 0.62 MAPT (0.43) APPGAAKITMAPTSMN1; SMN2
SCHEMBL29706952 0.62 TLR8 (0.62) MGAMGAASIMGAM2SLC2A1

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed