SCHEMBL8411990

SCHEMBL8411990

c1ccc([N+]2(c3ccccn3)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
LMNA P02545 3/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
TP53 P04637 3/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
ATM Q13315 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL3079911 0.73 KDM4E (0.40) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7853114 0.70 TDP1 (0.35) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4015315 0.62 ALDH1A1 (0.67) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31668851 0.61
SCHEMBL30500259 0.61
SCHEMBL8369 0.61
Dipyridyl SCHEMBL29351528 0.60 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL3711450 0.60 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29907716 0.60 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL5922 0.60 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8

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
EP-0933634-A2 Karl-Fischer reagent comprising ethanol as alcoholic component Rdh Laborchemikalien GmbH & Co. KG (DE) 1999-08-04 EP disclosed