SCHEMBL5279348

SCHEMBL5279348

CCCn1nnc(C#N)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.37
ALDH1A1 P00352 3/20 0.33
GRM2 Q14416 1/20 0.33
CTSK P43235 4/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TOP2A P11388 1/20 0.32
CYP17A1 P05093 1/20 0.30
GRIA4 P48058 1/20 0.30
HCAR3 P49019 1/20 0.30
CYP1A2 P05177 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
SCHEMBL5286276 0.89 SLC9A1 (0.40) SLC9A1ALDH1A1GRM2HPGDTDP1
SCHEMBL5280990 0.86 SLC9A1 (0.43) SLC9A1ALDH1A1GRM2HCAR3
SCHEMBL5281303 0.84 ALDH1A1 (0.33) SLC9A1ALDH1A1GRM2HPGDTDP1
SCHEMBL5285694 0.81 GRM2 (0.40) SLC9A1ALDH1A1GRM2CTSKHPGD
SCHEMBL5277800 0.81 SLC9A1 (0.37) SLC9A1ALDH1A1GRM2CTSKHPGD
SCHEMBL5280296 0.81 SLC9A1 (0.37) SLC9A1ALDH1A1GRM2TOP2ACYP17A1
SCHEMBL5281408 0.81 SLC9A1 (0.37) SLC9A1ALDH1A1GRM2CTSKHPGD
SCHEMBL5281984 0.80 SLC9A1 (0.34) SLC9A1ALDH1A1GRM2CTSKHPGD
SCHEMBL5280172 0.79 GRIA4 (0.39) SLC9A1ALDH1A1GRM2CTSKHPGD
SCHEMBL5278378 0.79 SLC9A1 (0.36) SLC9A1ALDH1A1GRM2TOP2ACYP17A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9964914-B2 Electrophotographic member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2018-05-08 US disclosed
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed