SCHEMBL4716005

SCHEMBL4716005

COc1ccccc1Cc1cc2ccccc2nc1N.Nc1nc2ccccc2cc1Cc1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.54
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE10A Q9Y233 1/20 0.41
MPO P05164 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL3218795 0.92 TLR8 (0.62) TLR8MEN1KMT2APDE10AADORA3
SCHEMBL3209046 0.88 TLR8 (0.53) TLR8KMT2AKDM4ENPC1ALDH1A1
SCHEMBL3200765 0.85 TLR8 (0.54) TLR8MEN1KMT2AKDM4ENPC1
SCHEMBL3406203 0.81 GAA (0.50) TLR8MEN1KMT2AGAAMAPT
SCHEMBL3206611 0.80 TLR8 (0.60) TLR8MEN1KMT2APDE10A
SCHEMBL3196286 0.80 TLR8 (0.49) TLR8KDM4EALDH1A1LMNAGAA
SCHEMBL3219290 0.80 PLA2G2A (0.48) TLR8MEN1KMT2AGAAMAPT
SCHEMBL3208174 0.80 ALDH1A1 (0.53) TLR8MEN1KMT2AKDM4ENPC1
SCHEMBL3214978 0.80 TP53 (0.47) TLR8MEN1KMT2AKDM4ENPC1
SCHEMBL3220325 0.80 PLA2G2A (0.46) TLR8MEN1KMT2AALDH1A1LMNA

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
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed