SCHEMBL5281175

SCHEMBL5281175

CCCCn1nnc(Cl)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
GRM2 Q14416 1/20 0.36
TOP2A P11388 1/20 0.34
HCAR3 P49019 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP19A1 P11511 3/20 0.31
MEN1 O00255 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
SCHEMBL5278288 0.93 SLC9A1 (0.42) SLC9A1GRM2HCAR3L3MBTL1ALDH1A1
SCHEMBL5278378 0.89 SLC9A1 (0.36) SLC9A1GRM2TOP2AALDH1A1KMT2A
SCHEMBL5283619 0.82 SLC9A1 (0.32) SLC9A1CYP19A1
SCHEMBL5278792 0.81 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3ALDH1A1
SCHEMBL5286276 0.81 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3ALDH1A1
SCHEMBL5280521 0.79 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5275874 0.79 GRM2 (0.42) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5282790 0.79 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5278027 0.79 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5279686 0.78 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3L3MBTL1

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