SCHEMBL789790

SCHEMBL789790

Brc1ccc2nc(Nc3ccc(N4CCOCC4)cc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
MAPK1 P28482 3/20 0.59
AHR P35869 1/20 0.59
HTT P42858 1/20 0.59
IGF1R P08069 5/20 0.49
PLK4 O00444 3/20 0.49
TP53 P04637 1/20 0.49
KDM1A O60341 1/20 0.47
LRRK2 Q5S007 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TLR9 Q9NR96 1/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK10 P53779 1/20 0.44

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
SCHEMBL10277917 0.82 MAPT (0.49) MAPTHTTLRRK2KDM4ERAB9A
SCHEMBL1866937 0.81 MAPT (0.60) MAPTMAPK1AHRHTTIGF1R
SCHEMBL27677940 0.76 PDE3B (0.52) MAPTMAPK1AHRHTTIGF1R
SCHEMBL1500149 0.76 SMN1; SMN2 (0.48) MAPTMAPK1AHRHTTMEN1
SCHEMBL17631851 0.75 MAPT (0.59) MAPTMAPK1AHRHTTTP53
SCHEMBL29074152 0.74 BACE1 (0.57) MAPTHTTMEN1KMT2AKDM4E
SCHEMBL4888050 0.74 MAPT (1.00) MAPTMAPK1AHRHTTMEN1
SCHEMBL413904 0.73 TTBK1 (0.55) MAPTMAPK1IGF1RPLK4TP53
SCHEMBL5498332 0.72 EGFR (0.49) MAPTMEN1KMT2ANPSR1KDM4E
SCHEMBL21848364 0.71 MAPT (0.57) MAPTMAPK1AHRHTTIGF1R

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 1 patent. 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