SCHEMBL16601918

SCHEMBL16601918

CCc1ccc2ccc(N(c3ccc4ccc(CO)nc4c3)c3ccc4ccc(CO)nc4c3)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.43
CCR1 P32246 1/20 0.41
APP P05067 1/20 0.39
PARP1 P09874 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.32
CYSLTR1 Q9Y271 2/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPK1 P28482 1/20 0.31
CLK1 P49759 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL12516490 0.91 TERT (0.50) TERTAPPPARP1GPBAR1CYSLTR1
SCHEMBL12517340 0.91 CCR1 (0.48) TERTCCR1APPGPBAR1CYSLTR1
SCHEMBL12516193 0.82 CCR1 (0.47) TERTCCR1APPGPBAR1CYSLTR1
SCHEMBL14925257 0.78 PDE10A (0.38) TERTGPBAR1CYSLTR1ALDH1A1PDE10A
SCHEMBL7833593 0.77 HSD17B10 (0.45) TERTCCR1APPPARP1GPBAR1
SCHEMBL12517709 0.77 CCR1 (0.41) TERTCCR1APPGPBAR1CYSLTR1
SCHEMBL12517701 0.73 CCR1 (0.38) TERTCCR1APPCYSLTR1ALDH1A1
SCHEMBL29970876 0.73 MEN1 (0.46) TERTPARP1GPBAR1CYSLTR1KDM4E
SCHEMBL16246600 0.72 APP (0.55) TERTCCR1APPPSMB5
SCHEMBL7813726 0.72 CYP1A2 (0.46) CCR1GPBAR1CYSLTR1KDM4EALDH1A1

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
US-8993767-B2 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-31 US disclosed