SCHEMBL5281499

SCHEMBL5281499

CCCCn1nnc(F)c1CCC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
TOP2A P11388 1/20 0.39
GRM2 Q14416 1/20 0.37
HCAR3 P49019 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 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
SCHEMBL5283211 0.93 SLC9A1 (0.44) SLC9A1TOP2AGRM2HCAR3ALDH1A1
SCHEMBL5281373 0.93 SLC9A1 (0.41) SLC9A1TOP2AGRM2HCAR3MEN1
SCHEMBL5280812 0.89 SLC9A1 (0.38) SLC9A1TOP2AGRM2HCAR3ALDH1A1
SCHEMBL5276666 0.87 SLC9A1 (0.42) SLC9A1TOP2AGRM2HCAR3MEN1
SCHEMBL5288208 0.86 SLC9A1 (0.44) SLC9A1TOP2AGRM2HCAR3ALDH1A1
SCHEMBL5275270 0.85 SLC9A1 (0.36) SLC9A1TOP2AGRM2ALDH1A1
SCHEMBL5278513 0.82 SLC9A1 (0.33) SLC9A1TOP2AGRM2ALDH1A1
SCHEMBL5284211 0.81 SLC9A1 (0.38) SLC9A1TOP2AGRM2HCAR3
SCHEMBL5275660 0.81 SLC9A1 (0.38) SLC9A1TOP2AGRM2HCAR3
SCHEMBL5278987 0.80 SLC9A1 (0.45) SLC9A1TOP2AGRM2HCAR3ALDH1A1

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