SCHEMBL5281023

SCHEMBL5281023

CCCCn1nnc(C#N)c1CC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
GRM2 Q14416 1/20 0.36
TOP2A P11388 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
HCAR3 P49019 2/20 0.33
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP11B2 P19099 1/20 0.30
HTT P42858 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
SCHEMBL5279791 0.93 SLC9A1 (0.43) SLC9A1GRM2ALDH1A1MAPK1HCAR3
SCHEMBL5277800 0.89 SLC9A1 (0.37) SLC9A1GRM2TOP2AALDH1A1HCAR3
SCHEMBL5278982 0.88 SLC9A1 (0.39) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5274892 0.88 ALDH1A1 (0.40) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5280972 0.83 SLC9A1 (0.36) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5284970 0.83 SLC9A1 (0.36) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5277421 0.83 ALDH1A1 (0.33) SLC9A1ALDH1A1HPGDTDP1CYP11B2
SCHEMBL5279410 0.82 GRM2 (0.43) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5286276 0.82 SLC9A1 (0.40) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5277783 0.82 SLC9A1 (0.40) SLC9A1GRM2TOP2AALDH1A1MAPK1

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