SCHEMBL5280418

SCHEMBL5280418

CCCCCCn1nnc(CCC)c1Br

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.44
GRM2 Q14416 2/20 0.42
HCAR3 P49019 1/20 0.35
TOP2A P11388 1/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GABRB3 P28472 1/20 0.32
SMPD1 P17405 4/20 0.31
MGLL Q99685 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL5273703 0.93 SLC9A1 (0.44) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5286989 0.93 GRM2 (0.47) SLC9A1GRM2HCAR3TOP2ALMNA
SCHEMBL5280118 0.88 SLC9A1 (0.45) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5277061 0.86 GRM2 (0.47) SLC9A1GRM2HCAR3TOP2ALMNA
SCHEMBL5279790 0.85 GRM2 (0.45) SLC9A1GRM2HCAR3TOP2AALDH1A1
SCHEMBL5280655 0.82 GRM2 (0.42) SLC9A1GRM2TOP2AALDH1A1
SCHEMBL5278501 0.82 SLC9A1 (0.41) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5275113 0.82 SLC9A1 (0.41) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5282492 0.81 SLC9A1 (0.45) SLC9A1GRM2HCAR3MAPTALDH1A1
SCHEMBL5281340 0.81 SLC9A1 (0.45) SLC9A1GRM2HCAR3TOP2AMAPT

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