SCHEMBL27895992

SCHEMBL27895992

CCCCCCCCCCC(CCCCCCC)c1nccn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TBXAS1 P24557 1/20 0.36
CYP2D6 P10635 1/20 0.35
LPO P22079 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL21024640 1.00 TLR8 (0.41) TLR8L3MBTL1ALDH1A1POLBKMT2A
SCHEMBL19087084 1.00 TLR8 (0.41) TLR8L3MBTL1ALDH1A1POLBKMT2A
SCHEMBL28717092 0.98 TLR8 (0.40) TLR8L3MBTL1ALDH1A1POLBKMT2A
SCHEMBL20098274 0.98 TLR8 (0.40) TLR8L3MBTL1ALDH1A1POLBKMT2A
Hydrochloric Acid SCHEMBL28717680 0.97 TLR8 (0.41) TLR8L3MBTL1ALDH1A1POLBKMT2A
SCHEMBL20372906 0.97 TLR8 (0.41) TLR8L3MBTL1ALDH1A1POLBKMT2A
SCHEMBL20994722 0.93 TLR8 (0.39) TLR8L3MBTL1ALDH1A1POLBKMT2A
SCHEMBL1854500 0.92 TLR8 (0.40) TLR8L3MBTL1ALDH1A1POLBKMT2A
SCHEMBL19582677 0.86 L3MBTL1 (0.40) TLR8L3MBTL1ALDH1A1POLBKMT2A
SCHEMBL28942503 0.85 L3MBTL1 (0.46) TLR8L3MBTL1ALDH1A1POLBKMT2A

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
CN-103026525-B Nanocrystals in Devices 默克专利有限公司 2016-11-09 CN disclosed
CN-103026525-A Nanocrystals in devices MERCK PATENT GMBH 2013-04-03 CN disclosed