SCHEMBL5277252

SCHEMBL5277252

CCc1c(F)nnn1CC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
NPC1 O15118 1/20 0.34
TOP2A P11388 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL5278513 0.83 SLC9A1 (0.33) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5277426 0.83 SLC9A1 (0.39) SLC9A1GRIA4TOP2AALDH1A1GRM2
SCHEMBL5280415 0.79 GRIA1 (0.32) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5275911 0.79 MAOB (0.32) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5273297 0.79 GRIA1 (0.38) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5276666 0.79 SLC9A1 (0.42) SLC9A1GRIA4TOP2AALDH1A1GRM2
SCHEMBL5278987 0.77 SLC9A1 (0.45) SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5280571 0.76
SCHEMBL5276050 0.74
SCHEMBL5275895 0.74 GABRB3 (0.37) SLC9A1GRIA1GRIA2GRIA3GRIA4

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