SCHEMBL5286276

SCHEMBL5286276

CCCCn1nnc(C#N)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 11)

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
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
SCHEMBL5280990 0.93 SLC9A1 (0.43) SLC9A1GRM2ALDH1A1MAPK1HCAR3
SCHEMBL5279348 0.89 SLC9A1 (0.37) SLC9A1GRM2TOP2AALDH1A1HCAR3
SCHEMBL5278792 0.82 SLC9A1 (0.40) SLC9A1GRM2TOP2AALDH1A1HCAR3
SCHEMBL5281023 0.82 SLC9A1 (0.40) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5277783 0.82 SLC9A1 (0.40) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5279410 0.82 GRM2 (0.43) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5276344 0.81 SLC9A1 (0.37) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5281303 0.81 ALDH1A1 (0.33) SLC9A1GRM2ALDH1A1HPGDTDP1
SCHEMBL5278982 0.81 SLC9A1 (0.39) SLC9A1GRM2TOP2AALDH1A1MAPK1
SCHEMBL5275874 0.81 GRM2 (0.42) SLC9A1GRM2TOP2AHCAR3MEN1

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