SCHEMBL5281448

SCHEMBL5281448

CCCn1nnc(C(C)C)c1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.37
ALDH1A1 P00352 2/20 0.33
GRIA4 P48058 1/20 0.33
GRM2 Q14416 1/20 0.33
POLB P06746 1/20 0.33
TOP2A P11388 1/20 0.32
HSD17B10 Q99714 1/20 0.31
HCAR3 P49019 1/20 0.30
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
SCHEMBL5275644 0.89 SLC9A1 (0.40) SLC9A1ALDH1A1GRM2TOP2AHCAR3
SCHEMBL5274377 0.86 SLC9A1 (0.43) SLC9A1ALDH1A1HCAR3
SCHEMBL5322273 0.84 SLC9A1 (0.33) SLC9A1ALDH1A1GRIA4GRM2
SCHEMBL5278079 0.78 SLC9A1 (0.38) SLC9A1ALDH1A1GRIA4GRM2POLB
SCHEMBL5276634 0.78 SLC9A1 (0.38) SLC9A1ALDH1A1GRIA4GRM2TOP2A
SCHEMBL5326407 0.77 GRIA4 (0.40) SLC9A1ALDH1A1GRIA4GRM2TOP2A
SCHEMBL5275897 0.77 GRM2 (0.40) SLC9A1ALDH1A1GRIA4GRM2TOP2A
SCHEMBL5276653 0.77 SLC9A1 (0.37) SLC9A1ALDH1A1GRIA4GRM2TOP2A
SCHEMBL5325010 0.77 SLC9A1 (0.34) SLC9A1ALDH1A1GRIA4GRM2
SCHEMBL5274139 0.76 SLC9A1 (0.36) SLC9A1ALDH1A1GRIA4GRM2POLB

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