SCHEMBL5281055

SCHEMBL5281055

CCCn1nnc(F)c1C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
TOP2A P11388 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GRM2 Q14416 1/20 0.32
POLB P06746 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 0.90 SLC9A1 (0.38) SLC9A1TOP2AGRM2
SCHEMBL5284034 0.87 SLC9A1 (0.41) SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5274434 0.85 SLC9A1 (0.32) SLC9A1TOP2A
SCHEMBL5275902 0.85 SLC9A1 (0.37) SLC9A1TOP2AALDH1A1GRM2POLB
SCHEMBL5279132 0.82 SLC9A1 (0.35) SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5273557 0.82 SLC9A1 (0.35) SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5279857 0.81 SLC9A1 (0.37) SLC9A1TOP2AALDH1A1GRM2POLB
SCHEMBL5279776 0.81 SLC9A1 (0.34) SLC9A1ALDH1A1GRM2
SCHEMBL5277329 0.81 GRM2 (0.37) SLC9A1ALDH1A1GRM2
SCHEMBL5287523 0.81 CYP1A2 (0.34) SLC9A1ALDH1A1GRM2

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