SCHEMBL5284294

SCHEMBL5284294

CCn1nnc(C(F)(F)F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 6/20 0.33
GABRB2 P47870 6/20 0.33
SLC9A1 P19634 1/20 0.32
NPC1 O15118 1/20 0.32
GABRB3 P28472 3/20 0.30
GRM2 Q14416 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RECQL P46063 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL5285271 0.86 SLC9A1 (0.32) SLC9A1NPC1
SCHEMBL5279233 0.85 SLC9A1 (0.36) GABRA2GABRB2SLC9A1GABRB3GRM2
SCHEMBL5276941 0.83 SLC9A1 (0.34) SLC9A1NPC1GRM2
SCHEMBL5277637 0.82 SLC9A1 (0.33) SLC9A1NPC1GRM2
SCHEMBL5277388 0.79 SLC9A1 (0.42) GABRA2GABRB2SLC9A1KDM4E
SCHEMBL5274382 0.78 SLC9A1 (0.32) SLC9A1NPC1
SCHEMBL5273556 0.78 SLC9A1 (0.33) SLC9A1NPC1GRM2
SCHEMBL5278258 0.78 MAOA (0.35) GABRA2GABRB2SLC9A1NPC1GABRB3
SCHEMBL5280277 0.78 SLC9A1 (0.33) SLC9A1NPC1GRM2
SCHEMBL5277885 0.77 SLC9A1 (0.31) 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