SCHEMBL5274641

SCHEMBL5274641

CCCCn1nnc(C(C)(C)C)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.37
GRM2 Q14416 1/20 0.34
TOP2A P11388 1/20 0.33
HSD17B10 Q99714 1/20 0.32
HCAR3 P49019 1/20 0.31

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
SCHEMBL5283287 0.94 SLC9A1 (0.40) SLC9A1HCAR3
SCHEMBL5280663 0.90 SLC9A1 (0.34) SLC9A1GRM2
SCHEMBL5278027 0.86 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5275219 0.86 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5285034 0.83 SLC9A1 (0.35) SLC9A1GRM2TOP2A
SCHEMBL5275420 0.83 SLC9A1 (0.35) SLC9A1GRM2TOP2A
SCHEMBL5276538 0.83 SLC9A1 (0.31) SLC9A1
SCHEMBL5282045 0.80 SLC9A1 (0.39) SLC9A1HCAR3
SCHEMBL5278728 0.80 SLC9A1 (0.39) SLC9A1HCAR3
SCHEMBL5279166 0.78 SLC9A1 (0.36) 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