SCHEMBL5287796

SCHEMBL5287796

CCCCn1nnc(C#N)c1C(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.36
GRM2 Q14416 1/20 0.33
TOP2A P11388 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCAR3 P49019 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
SCHEMBL5284304 0.94 SLC9A1 (0.39) SLC9A1ALDH1A1HCAR3
SCHEMBL5282386 0.90 SLC9A1 (0.33) SLC9A1GRM2ALDH1A1HPGDTDP1
SCHEMBL5275655 0.88 SLC9A1 (0.35) SLC9A1GRM2TOP2A
SCHEMBL5276730 0.86 SLC9A1 (0.37) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5273941 0.84 SLC9A1 (0.36) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5275872 0.83 ALDH1A1 (0.33) SLC9A1ALDH1A1HPGDTDP1
SCHEMBL5276912 0.83 SLC9A1 (0.36) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5273266 0.82 SLC9A1 (0.38) SLC9A1HCAR3
SCHEMBL5280981 0.80 SLC9A1 (0.40) SLC9A1HCAR3
SCHEMBL5282197 0.79 SLC9A1 (0.39) SLC9A1HCAR3

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