SCHEMBL28222385

SCHEMBL28222385

CCCCCCCCCCc1cc2ccccc2c(N)c1C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 15/20 0.52
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LIPG Q9Y5X9 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
TYR P14679 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
SCHEMBL28222384 1.00 TLR8 (0.52) TLR8MAPTKDM4EUSP2ALDH1A1
SCHEMBL28860556 1.00 TLR8 (0.52) TLR8MAPTKDM4EUSP2ALDH1A1
SCHEMBL28222389 0.94 TLR8 (0.53) TLR8MAPTKDM4EUSP2ALDH1A1
Trifluoroacetic Acid SCHEMBL28222492 0.88 MAPT (0.45) TLR8MAPTKDM4EUSP2ALDH1A1
Trifluoroacetic Acid SCHEMBL28223129 0.88 MAPT (0.45) TLR8MAPTKDM4EUSP2ALDH1A1
Trifluoroacetic Acid SCHEMBL28223157 0.88 MAPT (0.45) TLR8MAPTKDM4EUSP2ALDH1A1
SCHEMBL6578274 0.86 TLR8 (0.54) TLR8MAPTKDM4EUSP2ALDH1A1
SCHEMBL31265758 0.86 MAPT (0.50) TLR8MAPTKDM4EUSP2ALDH1A1
SCHEMBL31265756 0.86 MAPT (0.50) TLR8MAPTKDM4EUSP2ALDH1A1
SCHEMBL31265757 0.86 MAPT (0.50) TLR8MAPTKDM4EUSP2ALDH1A1

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
CN-104981249-B Antimicrobe compound, their synthesis and its application 英国卫生部 2018-06-19 CN disclosed