SCHEMBL5278792

SCHEMBL5278792

CCCCn1nnc(C)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
HCAR3 P49019 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.32
NR1H3 Q13133 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL5277604 0.93 SLC9A1 (0.43) SLC9A1GRM2HCAR3ALDH1A1
SCHEMBL5280296 0.89 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5286276 0.82 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5280310 0.81 CYP11B2 (0.34) SLC9A1GRM2ALDH1A1
SCHEMBL5275874 0.81 GRM2 (0.42) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5282790 0.81 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5281175 0.81 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5280521 0.81 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5279686 0.79 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3ALDH1A1
SCHEMBL5274107 0.79 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3KMT2A

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