SCHEMBL5278337

SCHEMBL5278337

CCCn1nnc(C(F)(F)C(F)(F)F)c1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
ALDH1A1 P00352 1/20 0.32
GRM2 Q14416 1/20 0.32
POLB P06746 1/20 0.31
TOP2A P11388 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
SCHEMBL5280880 0.90 SLC9A1 (0.38) SLC9A1GRM2TOP2A
SCHEMBL5275962 0.87 SLC9A1 (0.41) SLC9A1ALDH1A1GRM2
SCHEMBL5278831 0.85 SLC9A1 (0.37) SLC9A1ALDH1A1GRM2POLBTOP2A
SCHEMBL5274741 0.85 SLC9A1 (0.32) SLC9A1
SCHEMBL5273557 0.82 SLC9A1 (0.35) SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5273671 0.82 SLC9A1 (0.35) SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5278663 0.82 SLC9A1 (0.35) SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5278216 0.81 SLC9A1 (0.37) SLC9A1ALDH1A1GRM2POLBTOP2A
SCHEMBL5285653 0.81 SLC9A1 (0.34) SLC9A1ALDH1A1GRM2
SCHEMBL5277593 0.81 SLC9A1 (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