SCHEMBL28024070

SCHEMBL28024070

CCCCc1nc2ccccc2cc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.55
TLR8 Q9NR97 7/20 0.51
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
TRPV1 Q8NER1 1/20 0.42
DHODH Q02127 1/20 0.41

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
SCHEMBL7135872 0.96 IKBKB (0.54) IKBKBTLR8GABRPGABRDGABRA1
SCHEMBL19841045 0.87 TLR8 (0.49) IKBKBTLR8GABRPGABRDGABRA1
SCHEMBL570984 0.77 TLR8 (0.54) TLR8TRPV1CYP3A4MAPTALDH1A1
SCHEMBL28146814 0.77 TLR8 (0.62) TLR8TRPV1MAPTKMT2AALDH1A1
SCHEMBL27524779 0.77 TLR8 (0.62) TLR8LMNAMAPTKMT2AALDH1A1
SCHEMBL287359 0.77 OXER1 (0.49) TLR8TRPV1ALDH1A1KDM4E
SCHEMBL26136515 0.76 IKBKB (0.50) IKBKBTLR8LMNAMEN1NR1I2
SCHEMBL28162401 0.75 TLR8 (0.69) TLR8MAPTKMT2AALDH1A1HPGD
Formamide SCHEMBL28501493 0.74 TLR8 (0.62) TLR8TRPV1ALDH1A1
SCHEMBL28214718 0.74 TLR8 (0.62) TLR8MAPTKMT2AALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103800906-B For stimulating mammal to the composition of the congenital immunity resistance of pathogen 德克萨斯大学系统董事会 2017-09-22 CN disclosed
CN-105126072-A Compositions for stimulation of mammalian innate immune resistance to pathogens UNIV TEXAS 2015-12-09 CN disclosed
CN-102439153-B Compositions for stimulating innate immune resistance to pathogens in mammals UNIV TEXAS 2015-07-22 CN disclosed