SCHEMBL11228142

SCHEMBL11228142

CCCCC(CC)c1ccc2ccccc2c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.38
TLR7 Q9NYK1 1/20 0.35
GAA P10253 5/20 0.35
KDM4E B2RXH2 4/20 0.35
NPC1 O15118 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 1/20 0.35
RCE1 Q9Y256 1/20 0.35
KCNH2 Q12809 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL6568728 0.91 NCEH1 (0.35) TLR8GAAKDM4EALDH1A1MEN1
SCHEMBL28693798 0.88 TLR8 (0.41) TLR8GAAKDM4ENPC1ALDH1A1
SCHEMBL2126529 0.81 ALDH1A1 (0.44) GAAALDH1A1KMT2ACYP1A2CYP2C19
SCHEMBL11235332 0.79 TLR8 (0.38) TLR8TLR7GAAKDM4ENPC1
SCHEMBL30220388 0.79 TLR8 (0.41) TLR8GAAKDM4ENPC1ALDH1A1
SCHEMBL8898418 0.78 KDM4E (0.37) TLR8GAAKDM4ENPC1ALDH1A1
SCHEMBL2126040 0.76 ALDH1A1 (0.43) KDM4EALDH1A1KMT2AL3MBTL1CYP1A2
SCHEMBL28141761 0.75 SLC6A4 (0.43) TLR8GAAKDM4ENPC1ALDH1A1
SCHEMBL28141816 0.75 SLC6A4 (0.43) TLR8GAAKDM4ENPC1ALDH1A1
SCHEMBL27629533 0.75 KMT2A (0.40) KDM4EALDH1A1MEN1KMT2AL3MBTL1

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
US-4315756-A Oil-soluble azo dye with N-substituted β-naphthylamine as coupling component BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed