SCHEMBL5328626

SCHEMBL5328626

CCCCCCCCCCCCCCC(C)c1nc(C)cn1CCC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TLR8 Q9NR97 3/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5333136 1.00 GPR84 (0.36) GPR84MEN1KMT2ANPSR1LMNA
SCHEMBL5332005 1.00 GPR84 (0.36) GPR84MEN1KMT2ANPSR1LMNA
SCHEMBL5333424 1.00 GPR84 (0.36) GPR84MEN1KMT2ANPSR1LMNA
SCHEMBL5329870 1.00 GPR84 (0.36) GPR84MEN1KMT2ANPSR1LMNA
SCHEMBL5328748 0.94 TLR8 (0.37) GPR84TLR8ALDH1A1TDP1
SCHEMBL5328505 0.94 TLR8 (0.37) GPR84TLR8ALDH1A1TDP1
SCHEMBL5328094 0.94 TLR8 (0.37) GPR84TLR8ALDH1A1TDP1
SCHEMBL5329416 0.94 TLR8 (0.37) GPR84TLR8ALDH1A1TDP1
SCHEMBL5331542 0.94 TLR8 (0.37) GPR84TLR8ALDH1A1TDP1
SCHEMBL5331725 0.94 TLR8 (0.37) GPR84TLR8ALDH1A1TDP1

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed