SCHEMBL11235332

SCHEMBL11235332

CCCCC(CC)c1c(N)ccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.38
TLR7 Q9NYK1 1/20 0.35
ALDH1A1 P00352 7/20 0.35
HPGD P15428 3/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
KEAP1 Q14145 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 6/20 0.35
KDM4E B2RXH2 6/20 0.35
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
HTT P42858 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
GLA P06280 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RCE1 Q9Y256 1/20 0.35

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
SCHEMBL13297382 0.87 ALDH1A1 (0.42) TLR8ALDH1A1HPGDCYP3A4TSHR
SCHEMBL11228142 0.79 TLR8 (0.38) TLR8TLR7ALDH1A1HPGDGAA
SCHEMBL30220315 0.79 TLR8 (0.41) TLR8ALDH1A1HPGDCYP3A4TSHR
SCHEMBL8898413 0.78 KDM4E (0.39) ALDH1A1HPGDGAAKDM4EMEN1
SCHEMBL7453593 0.77 GABBR2 (0.41) ALDH1A1HPGDTSHRHSD17B10GAA
SCHEMBL8966479 0.76 ALDH1A1 (0.41) TLR8ALDH1A1HPGDCYP3A4TSHR
SCHEMBL2126529 0.74 ALDH1A1 (0.44) ALDH1A1GAAKMT2ACYP1A2CYP2C19
SCHEMBL8487906 0.72 KCNH2 (0.36) TLR8MEN1KMT2ASMN1; SMN2KCNH2
SCHEMBL19590681 0.71 ALDH1A1 (0.46) ALDH1A1HPGDCYP3A4TSHRKEAP1
SCHEMBL11046112 0.71 KDM4E (0.40) TLR8ALDH1A1HPGDGAAKDM4E

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