SCHEMBL5278024

SCHEMBL5278024

CCCCn1nnc(CC)c1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
GRM2 Q14416 1/20 0.36
HCAR3 P49019 2/20 0.36
TOP2A P11388 1/20 0.35
HTT P42858 1/20 0.33
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MPO P05164 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
SCHEMBL5279562 0.93 SLC9A1 (0.43) SLC9A1GRM2HCAR3MPO
SCHEMBL5285637 0.89 SLC9A1 (0.37) SLC9A1GRM2HCAR3TOP2A
SCHEMBL5277134 0.88 SLC9A1 (0.39) SLC9A1GRM2HCAR3TOP2AHTT
SCHEMBL5282585 0.88 SLC9A1 (0.39) SLC9A1GRM2HCAR3TOP2AHTT
SCHEMBL5288686 0.86 SLC9A1 (0.38) SLC9A1GRM2HCAR3TOP2AHTT
SCHEMBL5279139 0.83 SLC9A1 (0.36) SLC9A1GRM2HCAR3TOP2AHTT
SCHEMBL5273929 0.81 SLC9A1 (0.42) SLC9A1GRM2HCAR3
SCHEMBL5280756 0.81 SLC9A1 (0.42) SLC9A1GRM2HCAR3
SCHEMBL5276508 0.81 NPC1 (0.36) SLC9A1GRM2HCAR3
SCHEMBL5275908 0.81 SLC9A1 (0.34) SLC9A1GRM2HCAR3

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