SCHEMBL13989410

SCHEMBL13989410

CCCCNc1cc(C)cc(NCCCC)n1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.61
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DNM2 P50570 8/20 0.45
TLR7 Q9NYK1 1/20 0.41
CRHR1 P34998 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
SCHEMBL9313985 0.90 TLR8 (0.65) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL13989429 0.88 TLR8 (0.50) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL24672584 0.85 TLR8 (0.58) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL8543215 0.83 DNM2 (0.57) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL14004165 0.82 TLR8 (0.44) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL13989398 0.80 SMN1; SMN2 (0.48) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL10102076 0.79 LMNA (0.46) TLR8ALDH1A1LMNATSHRHTT
SCHEMBL13989433 0.78 SLC29A1 (0.48) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL12963699 0.78 NOS3 (0.55) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL16608857 0.77 ALDH1A1 (0.73) TLR8ALDH1A1LMNATP53TSHR

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-20080312352-A1 Dyes and Dye Mixtures for Dying Polymers, Method for the Production Thereof and Their Use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-12-18 US disclosed