SCHEMBL5283262

SCHEMBL5283262

CCn1nnc(F)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
NPC1 O15118 1/20 0.32
PTGS2 P35354 2/20 0.32
TOP2A P11388 1/20 0.32
PTGS1 P23219 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GRM2 Q14416 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
SCHEMBL5274434 0.84 SLC9A1 (0.32) SLC9A1NPC1TOP2A
SCHEMBL5275902 0.84 SLC9A1 (0.37) SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5280845 0.83 SLC9A1 (0.33) SLC9A1NPC1TOP2AALDH1A1GRM2
SCHEMBL5276267 0.82 SLC9A1 (0.32) SLC9A1NPC1TOP2A
SCHEMBL5273595 0.81 SLC9A1 (0.40) SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5280277 0.79 SLC9A1 (0.33) SLC9A1NPC1ALDH1A1GRM2
SCHEMBL5278007 0.79 GABRB3 (0.34) SLC9A1NPC1ALDH1A1GRM2
SCHEMBL5278418 0.79 SLC9A1 (0.31) SLC9A1NPC1
SCHEMBL5274274 0.78 SLC9A1 (0.43) SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5274029 0.78 GABRB3 (0.36) SLC9A1NPC1

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