SCHEMBL5282790

SCHEMBL5282790

CCCCn1nnc(F)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
TOP2A P11388 1/20 0.37
GRM2 Q14416 1/20 0.36
HCAR3 P49019 1/20 0.33
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CTSL P07711 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
SCHEMBL5276366 0.93 SLC9A1 (0.42) SLC9A1TOP2AGRM2HCAR3
SCHEMBL5274174 0.89 SLC9A1 (0.36) SLC9A1TOP2AGRM2
SCHEMBL5274087 0.82 SLC9A1 (0.32) SLC9A1TOP2A
SCHEMBL5278792 0.81 SLC9A1 (0.40) SLC9A1TOP2AGRM2HCAR3MEN1
SCHEMBL5286276 0.81 SLC9A1 (0.40) SLC9A1TOP2AGRM2HCAR3MEN1
SCHEMBL5275874 0.79 GRM2 (0.42) SLC9A1TOP2AGRM2HCAR3MEN1
SCHEMBL5280521 0.79 SLC9A1 (0.39) SLC9A1TOP2AGRM2HCAR3MEN1
SCHEMBL5281175 0.79 SLC9A1 (0.39) SLC9A1TOP2AGRM2HCAR3MEN1
SCHEMBL5275219 0.79 SLC9A1 (0.36) SLC9A1TOP2AGRM2HCAR3KMT2A
SCHEMBL5279686 0.78 SLC9A1 (0.38) SLC9A1TOP2AGRM2HCAR3

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