SCHEMBL6652152

SCHEMBL6652152

CCCn1c(OC)nc2c(OC)cccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.59
PKM P14618 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CASR P41180 1/20 0.51
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 5/20 0.44
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
TNF P01375 1/20 0.43
LITAF Q99732 1/20 0.43
NQO2 P16083 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
USP2 O75604 2/20 0.42
LMNA P02545 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42

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
SCHEMBL3643132 0.88 TLR8 (0.55) TLR8PKMMEN1KMT2ACASR
SCHEMBL6954581 0.80 TLR8 (0.54) TLR8PKMMEN1KMT2ACASR
SCHEMBL6652836 0.79 NQO2 (0.49) TLR8PKMMEN1KMT2ACASR
SCHEMBL16512961 0.74 TLR8 (1.00) TLR8CASRMAPTPOLBTP53
SCHEMBL14685298 0.73 PDE10A (0.53) TLR8PKMMEN1KMT2ACASR
SCHEMBL30524217 0.70 GRM2 (0.49) TLR8MEN1KMT2ACASRALDH1A1
SCHEMBL194252 0.69 TLR8 (0.48) TLR8PKMCASRSMN1; SMN2ALDH1A1
SCHEMBL7707554 0.69 TLR8 (0.48) TLR8PKMCASRSMN1; SMN2NQO2
SCHEMBL29795694 0.69 ASAH1 (0.54) TLR8CASRTSHRSMN1; SMN2ALDH1A1
SCHEMBL28945638 0.69 ASAH1 (0.54) TLR8CASRTSHRSMN1; SMN2ALDH1A1

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-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP disclosed