SCHEMBL5285637

SCHEMBL5285637

CCCn1nnc(CC)c1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.37
GRIA4 P48058 1/20 0.36
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GRM2 Q14416 1/20 0.33
HCAR3 P49019 1/20 0.33
RECQL P46063 1/20 0.32
TOP2A P11388 1/20 0.32
CYP1A2 P05177 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
SCHEMBL5278024 0.89 SLC9A1 (0.40) SLC9A1GRM2HCAR3TOP2A
SCHEMBL5278453 0.87 SLC9A1 (0.36) SLC9A1GRIA4HSD17B10ALDH1A1GRM2
SCHEMBL5279562 0.86 SLC9A1 (0.43) SLC9A1ALDH1A1GRM2HCAR3
SCHEMBL5278372 0.85 GRIA4 (0.38) SLC9A1GRIA4HSD17B10ALDH1A1GRM2
SCHEMBL5276508 0.84 NPC1 (0.36) SLC9A1GRIA4ALDH1A1GRM2HCAR3
SCHEMBL5275908 0.84 SLC9A1 (0.34) SLC9A1GRIA4HSD17B10ALDH1A1GRM2
SCHEMBL5282635 0.82 SLC9A1 (0.33) SLC9A1GRIA4HSD17B10ALDH1A1GRM2
SCHEMBL5285075 0.78 SLC9A1 (0.42) SLC9A1GRIA4HSD17B10ALDH1A1GRM2
SCHEMBL5276634 0.78 SLC9A1 (0.38) SLC9A1GRIA4HSD17B10ALDH1A1GRM2
SCHEMBL5275276 0.78 GAA (0.31)

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