SCHEMBL5276830

SCHEMBL5276830

CCCn1nnc(CC)c1F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.40
ALDH1A1 P00352 3/20 0.36
GRM2 Q14416 1/20 0.36
POLB P06746 1/20 0.35
TOP2A P11388 1/20 0.34
GRIA4 P48058 1/20 0.33
HCAR3 P49019 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL5284272 0.88 SLC9A1 (0.43) SLC9A1ALDH1A1GRM2TOP2AHCAR3
SCHEMBL5276018 0.85 SLC9A1 (0.39) SLC9A1ALDH1A1GRM2POLBTOP2A
SCHEMBL5285123 0.84 SLC9A1 (0.46) SLC9A1ALDH1A1GRM2TOP2AHCAR3
SCHEMBL5280741 0.82 SLC9A1 (0.36) SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5278676 0.82 SLC9A1 (0.37) SLC9A1ALDH1A1GRM2POLBTOP2A
SCHEMBL5274139 0.80 SLC9A1 (0.36) SLC9A1ALDH1A1GRM2POLBTOP2A
SCHEMBL5276650 0.80 SLC9A1 (0.36) SLC9A1ALDH1A1GRM2POLBTOP2A
SCHEMBL5277523 0.80 SLC9A1 (0.41) SLC9A1ALDH1A1GRM2POLBTOP2A
SCHEMBL5284393 0.78 SLC9A1 (0.40) SLC9A1ALDH1A1GRM2POLBTOP2A
SCHEMBL5282973 0.78 SLC9A1 (0.40) SLC9A1ALDH1A1GRM2TOP2AGRIA4

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