SCHEMBL5274658

SCHEMBL5274658

CCCCCCn1nnc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.43
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCAR3 P49019 1/20 0.34
SMPD1 P17405 4/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRM2 Q14416 1/20 0.32
TLR8 Q9NR97 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
SCHEMBL5273577 0.93 SLC9A1 (0.40) SLC9A1MAPTLMNAKDM4EHTT
SCHEMBL5279485 0.90 SLC9A1 (0.41) SLC9A1MAPTHCAR3SMPD1CNR1
SCHEMBL5277091 0.90 SLC9A1 (0.41) SLC9A1MAPTLMNAKDM4EHTT
SCHEMBL5283324 0.89 SLC9A1 (0.40) SLC9A1MAPTLMNAKDM4EHTT
SCHEMBL5280303 0.89 SLC9A1 (0.40) SLC9A1MAPTLMNAKDM4EHTT
SCHEMBL5277187 0.89 SLC9A1 (0.40) SLC9A1MAPTLMNAKDM4EHTT
SCHEMBL5276110 0.86 SLC9A1 (0.38) SLC9A1MAPTHCAR3SMPD1CNR1
SCHEMBL5278352 0.86 SLC9A1 (0.38) SLC9A1MAPTLMNAKDM4EHTT
SCHEMBL5278286 0.86 SLC9A1 (0.37) SLC9A1HCAR3ALDH1A1GRM2
SCHEMBL5280030 0.83 SLC9A1 (0.43) SLC9A1MAPTLMNAHCAR3SMPD1

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