SCHEMBL5284978

SCHEMBL5284978

CCCCCCn1nnc(C(F)(F)F)c1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
MAPT P10636 2/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCAR3 P49019 1/20 0.31
TLR8 Q9NR97 1/20 0.30
SMPD1 P17405 4/20 0.30
GRIA4 P48058 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL5283005 0.94 SLC9A1 (0.36) SLC9A1LMNAHTTHCAR3GRIA4
SCHEMBL5274673 0.89 SLC9A1 (0.37) SLC9A1
SCHEMBL5278511 0.88 GRIA4 (0.38) SLC9A1GRIA4
SCHEMBL5321095 0.87 SLC9A1 (0.39) SLC9A1MAPTHCAR3SMPD1GRIA4
SCHEMBL5276843 0.86 SLC9A1 (0.38) SLC9A1MAPTHCAR3SMPD1GRIA4
SCHEMBL5282523 0.85 SLC9A1 (0.42) SLC9A1MAPTGABRA2GABRB2KDM4E
SCHEMBL5276375 0.85 SLC9A1 (0.42) SLC9A1MAPTGABRA2GABRB2KDM4E
SCHEMBL5280695 0.85 SLC9A1 (0.42) SLC9A1MAPTGABRA2GABRB2KDM4E
SCHEMBL5277761 0.83 SLC9A1 (0.37) SLC9A1
SCHEMBL5278461 0.83 SLC9A1 (0.34) SLC9A1GRIA4

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