SCHEMBL5281173

SCHEMBL5281173

CCCCCCn1nnc(C(Cl)(Cl)Cl)c1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
MAPT P10636 1/20 0.33
HCAR3 P49019 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
SMPD1 P17405 4/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GRM2 Q14416 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
SCHEMBL5273217 0.94 SLC9A1 (0.37) SLC9A1HCAR3GRM2
SCHEMBL5286326 0.90 SLC9A1 (0.39) SLC9A1MAPTHCAR3CNR1CNR2
SCHEMBL5275508 0.87 SLC9A1 (0.34) SLC9A1ALDH1A1GRM2
SCHEMBL5279359 0.86 SLC9A1 (0.41) SLC9A1MAPTHCAR3CNR1CNR2
SCHEMBL5276454 0.85 SLC9A1 (0.40) SLC9A1MAPTHCAR3CNR1CNR2
SCHEMBL5281344 0.83 SLC9A1 (0.36) SLC9A1HCAR3GRM2
SCHEMBL5284459 0.82 SLC9A1 (0.38) SLC9A1MAPTHCAR3CNR1CNR2
SCHEMBL5278300 0.81 SLC9A1 (0.44) SLC9A1MAPTHCAR3CNR1CNR2
SCHEMBL5281693 0.80 SLC9A1 (0.31) SLC9A1
SCHEMBL5286379 0.80 SLC9A1 (0.38) SLC9A1HCAR3CNR1CNR2GRM2

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