SCHEMBL5280812

SCHEMBL5280812

CCCc1c(F)nnn1CCC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.38
GRIA4 P48058 1/20 0.37
TOP2A P11388 1/20 0.36
ALDH1A1 P00352 2/20 0.34
GRM2 Q14416 1/20 0.34
POLB P06746 1/20 0.33
HCAR3 P49019 1/20 0.31
CYP1A2 P05177 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
SCHEMBL5281499 0.89 SLC9A1 (0.41) SLC9A1TOP2AALDH1A1GRM2HCAR3
SCHEMBL5275270 0.89 SLC9A1 (0.36) SLC9A1GRIA4TOP2AALDH1A1GRM2
SCHEMBL5278513 0.86 SLC9A1 (0.33) SLC9A1GRIA4TOP2AALDH1A1GRM2
SCHEMBL5277426 0.86 SLC9A1 (0.39) SLC9A1GRIA4TOP2AALDH1A1GRM2
SCHEMBL5283211 0.85 SLC9A1 (0.44) SLC9A1TOP2AALDH1A1GRM2HCAR3
SCHEMBL5281373 0.81 SLC9A1 (0.41) SLC9A1TOP2AALDH1A1GRM2HCAR3
SCHEMBL5279099 0.79 SLC9A1 (0.35) SLC9A1GRIA4TOP2AALDH1A1GRM2
SCHEMBL5280654 0.79 GRIA4 (0.41) SLC9A1GRIA4TOP2AALDH1A1GRM2
SCHEMBL5285639 0.79 MAOB (0.34)
SCHEMBL5288208 0.78 SLC9A1 (0.44) SLC9A1TOP2AALDH1A1GRM2HCAR3

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