SCHEMBL5285231

SCHEMBL5285231

CCCCCCn1nnc(C(F)(F)C(F)(F)F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
HCAR3 P49019 1/20 0.33
SMPD1 P17405 4/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GRM2 Q14416 1/20 0.31
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 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
SCHEMBL5280894 0.94 SLC9A1 (0.38) SLC9A1GABRA2GABRB2HCAR3GRM2
SCHEMBL5277388 0.89 SLC9A1 (0.42) SLC9A1GABRA2GABRB2HCAR3SMPD1
SCHEMBL5278663 0.87 SLC9A1 (0.35) SLC9A1ALDH1A1GRM2
SCHEMBL5278300 0.85 SLC9A1 (0.44) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5281787 0.84 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5275962 0.84 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5274791 0.84 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5273269 0.84 SLC9A1 (0.43) SLC9A1HCAR3SMPD1MAPTCNR1
SCHEMBL5281085 0.84 SLC9A1 (0.38) SLC9A1HCAR3SMPD1MAPT
SCHEMBL5281866 0.83 SLC9A1 (0.40) SLC9A1HCAR3SMPD1MAPTALDH1A1

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