SCHEMBL5283124

SCHEMBL5283124

CCCCCCn1nnc(Br)c1CC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.45
GRM2 Q14416 2/20 0.40
HCAR3 P49019 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMPD1 P17405 4/20 0.32
TOP2A P11388 1/20 0.32
TLR8 Q9NR97 1/20 0.32
MGLL Q99685 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
SCHEMBL5278898 0.93 GRM2 (0.45) SLC9A1GRM2HCAR3TOP2A
SCHEMBL5287644 0.88 SLC9A1 (0.44) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5282518 0.88 SLC9A1 (0.44) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5278524 0.85 GRM2 (0.42) SLC9A1GRM2HCAR3ALDH1A1TOP2A
SCHEMBL5279525 0.83 SLC9A1 (0.41) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5278575 0.83 SLC9A1 (0.44) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5280496 0.81 SLC9A1 (0.47) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5277682 0.80 SLC9A1 (0.46) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5277723 0.80 SLC9A1 (0.46) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5278986 0.80 GRM2 (0.44) SLC9A1GRM2HCAR3TOP2A

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