SCHEMBL6657286

SCHEMBL6657286

CCn1c(O)nc2c(O)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.54
PTGER4 P35408 2/20 0.41
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ACHE P22303 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
NPC1 O15118 1/20 0.39
HCRTR1 O43613 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTT P42858 1/20 0.39
METAP2 P50579 2/20 0.38

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
SCHEMBL6652751 0.86 TLR8 (0.58) TLR8KMT2AL3MBTL1ACHEKDM4E
SCHEMBL7978785 0.84 TLR8 (0.52) TLR8PTGER4KMT2AL3MBTL1ACHE
SCHEMBL6653088 0.83 TLR8 (0.68) TLR8KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL6080442 0.77 MAPK1 (0.51) TLR8PTGER4KMT2AKDM4EALDH1A1
SCHEMBL6654439 0.76 TLR8 (0.46) TLR8KMT2AACHEKDM4EALDH1A1
SCHEMBL12397237 0.74 HTT (0.62) KMT2AL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL9375371 0.72 CCR1 (0.48) L3MBTL1KDM4EALDH1A1MAPTTSHR
SCHEMBL22090002 0.71 KMT2A (0.42) KMT2AL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL16487216 0.70 TLR8 (1.00) TLR8ALDH1A1HTTPOLB
SCHEMBL7975692 0.70 TLR8 (0.49) TLR8KMT2AACHEKDM4EALDH1A1

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