SCHEMBL5280852

SCHEMBL5280852

CCCCCCn1nnc(C(Cl)(Cl)C(Cl)(Cl)Cl)c1Br

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
GRM2 Q14416 1/20 0.35
HCAR3 P49019 1/20 0.32
SMPD1 P17405 4/20 0.31
TOP2A P11388 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL5281379 0.94 GRM2 (0.40) SLC9A1GRM2HCAR3TOP2A
SCHEMBL5283149 0.89 SLC9A1 (0.43) SLC9A1GRM2HCAR3SMPD1TOP2A
SCHEMBL5278846 0.87 GRM2 (0.37) SLC9A1GRM2TOP2AALDH1A1
SCHEMBL5278425 0.83 SLC9A1 (0.41) SLC9A1GRM2HCAR3SMPD1MAPT
SCHEMBL5279836 0.83 SLC9A1 (0.41) SLC9A1GRM2HCAR3SMPD1MAPT
SCHEMBL5279961 0.83 SLC9A1 (0.41) SLC9A1GRM2HCAR3SMPD1MAPT
SCHEMBL5280710 0.83 SLC9A1 (0.43) SLC9A1GRM2HCAR3SMPD1TOP2A
SCHEMBL5282497 0.82 GRM2 (0.43) SLC9A1GRM2HCAR3TOP2ALMNA
SCHEMBL5277374 0.82 SLC9A1 (0.40) SLC9A1GRM2HCAR3SMPD1MAPT
SCHEMBL5275778 0.82 SLC9A1 (0.40) SLC9A1GRM2HCAR3SMPD1MAPT

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