SCHEMBL5284034

SCHEMBL5284034

CCCCCCn1nnc(F)c1C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
HCAR3 P49019 1/20 0.33
SMPD1 P17405 4/20 0.32
TOP2A P11388 1/20 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

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
SCHEMBL5274113 0.94 SLC9A1 (0.38) SLC9A1HCAR3TOP2AGRM2
SCHEMBL5274274 0.87 SLC9A1 (0.43) SLC9A1HCAR3SMPD1TOP2AMAPT
SCHEMBL5281055 0.87 SLC9A1 (0.35) SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5278264 0.84 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5281787 0.84 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5286792 0.84 SLC9A1 (0.43) SLC9A1HCAR3SMPD1TOP2AMAPT
SCHEMBL5277362 0.83 SLC9A1 (0.40) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5277677 0.83 SLC9A1 (0.40) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5277187 0.83 SLC9A1 (0.40) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5288937 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