SCHEMBL5288212

SCHEMBL5288212

CCCCn1nnc(CC(C)C)c1F

nearest known ligand 0.39

Predicted protein targets (top 6)

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
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32

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
SCHEMBL5288514 0.93 SLC9A1 (0.42) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5274139 0.89 SLC9A1 (0.36) SLC9A1GRM2TOP2AMEN1KMT2A
SCHEMBL5284360 0.83 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5283153 0.83 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5278534 0.82 MEN1 (0.34) SLC9A1MEN1KMT2A
SCHEMBL5284272 0.82 SLC9A1 (0.43) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5277296 0.81 SLC9A1 (0.41) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5273243 0.81 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5288686 0.81 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5282477 0.81 GRM2 (0.41) SLC9A1GRM2TOP2AHCAR3

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