SCHEMBL28702194

SCHEMBL28702194

CCCCC(N)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
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
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC2A1 P11166 1/20 0.33
HTT P42858 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
SCHEMBL29137079 0.95 TLR8 (0.44) TLR8L3MBTL1ALDH1A1POLBKMT2A
SCHEMBL29137074 0.88 TLR8 (0.39) TLR8L3MBTL1ALDH1A1POLBKMT2A
Bromide SCHEMBL28540808 0.88 L3MBTL1 (0.41) TLR8L3MBTL1ALDH1A1POLBKMT2A
SCHEMBL27942970 0.82 L3MBTL1 (0.47) TLR8L3MBTL1ALDH1A1POLBKMT2A
SCHEMBL6833232 0.81 TLR8 (0.55) TLR8ALDH1A1POLBKMT2AKDM4E
SCHEMBL30716886 0.80 EPHX1 (0.35) TLR8L3MBTL1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL25338117 0.80 L3MBTL1 (0.46) TLR8L3MBTL1ALDH1A1POLBKMT2A
Water SCHEMBL31566367 0.80 L3MBTL1 (0.46) TLR8L3MBTL1ALDH1A1POLBKMT2A
Bromide SCHEMBL28223816 0.80 L3MBTL1 (0.46) TLR8L3MBTL1ALDH1A1POLBKMT2A
Hydrochloric Acid SCHEMBL27953560 0.80 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113933431-B Method for determining alkaloid in main stream smoke of cigarettes 中国烟草总公司郑州烟草研究院 2023-09-01 CN claimed
CN-113933432-B High-sensitivity and high-precision analysis method suitable for detecting alkaloid in tobacco leaves 中国烟草总公司郑州烟草研究院 2023-08-25 CN claimed
CN-113933432-A High-sensitivity and high-precision analysis method suitable for detecting alkaloid in tobacco leaves 中国烟草总公司郑州烟草研究院 2022-01-14 CN claimed
CN-113933431-A Method for measuring alkaloid in cigarette mainstream smoke 中国烟草总公司郑州烟草研究院 2022-01-14 CN claimed
CN-113933431-B Method for determining alkaloid in main stream smoke of cigarettes 中国烟草总公司郑州烟草研究院 2023-09-01 CN disclosed
CN-113933432-B High-sensitivity and high-precision analysis method suitable for detecting alkaloid in tobacco leaves 中国烟草总公司郑州烟草研究院 2023-08-25 CN disclosed
CN-113933432-A High-sensitivity and high-precision analysis method suitable for detecting alkaloid in tobacco leaves 中国烟草总公司郑州烟草研究院 2022-01-14 CN disclosed
CN-113933431-A Method for measuring alkaloid in cigarette mainstream smoke 中国烟草总公司郑州烟草研究院 2022-01-14 CN disclosed