SCHEMBL5280118

SCHEMBL5280118

CCCCCCn1nnc(CC)c1Br

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.45
GRM2 Q14416 1/20 0.40
HCAR3 P49019 1/20 0.35
TOP2A P11388 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MPO P05164 1/20 0.33
SMPD1 P17405 4/20 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
SCHEMBL5273503 0.93 GRM2 (0.45) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5273703 0.88 SLC9A1 (0.44) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5280418 0.88 SLC9A1 (0.44) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5285365 0.85 GRM2 (0.42) SLC9A1GRM2HCAR3TOP2AALDH1A1
SCHEMBL5275113 0.83 SLC9A1 (0.41) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5278501 0.83 SLC9A1 (0.41) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5280496 0.81 SLC9A1 (0.47) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5279549 0.80 SLC9A1 (0.46) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5276080 0.80 SLC9A1 (0.46) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5285123 0.80 SLC9A1 (0.46) 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