SCHEMBL8768009

SCHEMBL8768009

BrCCn1cc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
ACHE P22303 1/20 0.32
ATM Q13315 1/20 0.32
NQO2 P16083 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 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
SCHEMBL10123647 0.81 SLC6A2 (0.44) SLC6A2TLR8TLR7MAPTMEN1
SCHEMBL16836646 0.81 ATM (0.41) SLC6A2HDAC8MAPTMEN1KMT2A
SCHEMBL9674453 0.81 TLR8 (0.37) SLC6A2SLC6A4SLC6A3TLR8TLR7
SCHEMBL29541132 0.81 PDE10A (0.39) SLC6A2SLC6A4SLC6A3TLR8TLR7
Hydrochloric Acid SCHEMBL10682979 0.79 TLR8 (0.36) SLC6A2SLC6A4SLC6A3TLR8TLR7
SCHEMBL9038635 0.78 SLC9A1 (0.44) SLC6A2SLC6A4SLC6A3TLR8TLR7
SCHEMBL18073162 0.78 TLR8 (0.55) SLC6A2TLR8TLR7MAPTMEN1
SCHEMBL17981794 0.78 PDE4D (0.42) TLR8TLR7HDAC8MAPTMEN1
SCHEMBL104070 0.77 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3TLR8TLR7
SCHEMBL254046 0.77 TLR8 (0.50) SLC6A2TLR8TLR7MEN1KMT2A

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-0790241-A1 COMPLEXONES WITH THE STRUCTURE OF N-2-(AZOL-1(2)-YL)ETHYLIMINODIACETIC ACIDS, SYNTHESIS, ANALYTICAL STUDY AND BIOLOGICAL APPLICATIONS UNIVERSIDAD NACIONAL DE EDUCACION A DISTANCIA (ES) 1997-08-20 EP disclosed