SCHEMBL6909445

SCHEMBL6909445

CCCCc1cc(SCC)c(N)c(SCC)c1N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
TYR P14679 1/20 0.32
SKP2 Q13309 1/20 0.31
NOS2 P35228 1/20 0.30

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
SCHEMBL8540338 0.82 AOC3 (0.38)
SCHEMBL6909596 0.79 SKP2 (0.38) TLR8SKP2NOS2
SCHEMBL6912403 0.78 TLR8 (0.34) TLR8GABRPGABRDGABRA1GABRB1
SCHEMBL48603 0.73 ALDH1A1 (0.34)
SCHEMBL5522764 0.72 ALDH1A1 (0.33)
SCHEMBL48321 0.72 AOC3 (0.36) NOS2
SCHEMBL14776649 0.68 AOC3 (0.32)
SCHEMBL1797285 0.68
SCHEMBL5385969 0.67 TLR8 (0.39) TLR8GABRPGABRDGABRA1GABRB1
SCHEMBL7027697 0.67 SKP2 (0.40) TLR8GABRPGABRDGABRA1GABRB1

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
EP-1265940-B1 AROMATIC AMINE CURATIVES AND THEIR USE ALBERMARLE CORP (US) 2004-10-27 EP disclosed
US-6509434-B1 Condensation polymerization of alkylthiated mononuclear aromatic amines and isocyanate prepolymer to produce polyurethanes, polyureaurethanes and/or polyureas ALBEMARLE CORPORATION 2003-01-21 US disclosed