SCHEMBL5283149

SCHEMBL5283149

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.43
GRM2 Q14416 2/20 0.38
HCAR3 P49019 1/20 0.34
SMPD1 P17405 4/20 0.33
TOP2A P11388 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL5282497 0.93 GRM2 (0.43) SLC9A1GRM2HCAR3TOP2ALMNA
SCHEMBL5280852 0.89 SLC9A1 (0.40) SLC9A1GRM2HCAR3SMPD1TOP2A
SCHEMBL5280710 0.87 SLC9A1 (0.43) SLC9A1GRM2HCAR3SMPD1TOP2A
SCHEMBL5274680 0.86 GRM2 (0.40) SLC9A1GRM2HCAR3TOP2AALDH1A1
SCHEMBL5281853 0.85 SLC9A1 (0.42) SLC9A1GRM2HCAR3SMPD1TOP2A
SCHEMBL5278300 0.85 SLC9A1 (0.44) SLC9A1GRM2HCAR3SMPD1TOP2A
SCHEMBL5280311 0.83 SLC9A1 (0.43) SLC9A1GRM2HCAR3SMPD1TOP2A
SCHEMBL5280258 0.83 SLC9A1 (0.43) SLC9A1GRM2HCAR3SMPD1TOP2A
SCHEMBL5281866 0.83 SLC9A1 (0.40) SLC9A1GRM2HCAR3SMPD1TOP2A
SCHEMBL5280496 0.82 SLC9A1 (0.47) SLC9A1GRM2HCAR3SMPD1TOP2A

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