SCHEMBL5281340

SCHEMBL5281340

CCCCCCn1nnc(CCC)c1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.45
HCAR3 P49019 1/20 0.35
MAPT P10636 1/20 0.34
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMPD1 P17405 4/20 0.32
TOP2A P11388 1/20 0.32
MGLL Q99685 2/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL5274290 0.93 SLC9A1 (0.45) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5281426 0.93 SLC9A1 (0.42) SLC9A1HCAR3GRM2ALDH1A1TOP2A
SCHEMBL5285123 0.87 SLC9A1 (0.46) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5286170 0.85 SLC9A1 (0.42) SLC9A1HCAR3GRM2ALDH1A1TOP2A
SCHEMBL5276018 0.85 SLC9A1 (0.39) SLC9A1HCAR3GRM2ALDH1A1TOP2A
SCHEMBL5276804 0.82 SLC9A1 (0.45) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5282492 0.82 SLC9A1 (0.45) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5278676 0.81 SLC9A1 (0.37) SLC9A1HCAR3GRM2ALDH1A1TOP2A
SCHEMBL5276925 0.81 SLC9A1 (0.47) SLC9A1HCAR3MAPTGRM2ALDH1A1
SCHEMBL5288514 0.81 SLC9A1 (0.42) SLC9A1HCAR3MAPTGRM2ALDH1A1

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
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed