SCHEMBL5282523

SCHEMBL5282523

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.42
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCAR3 P49019 1/20 0.33
SMPD1 P17405 4/20 0.33
GABRB3 P28472 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRM2 Q14416 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
SCHEMBL5278901 0.93 SLC9A1 (0.39) SLC9A1GABRA2GABRB2MAPTLMNA
SCHEMBL5276375 0.90 SLC9A1 (0.42) SLC9A1GABRA2GABRB2MAPTLMNA
SCHEMBL5280695 0.90 SLC9A1 (0.42) SLC9A1GABRA2GABRB2MAPTLMNA
SCHEMBL5276795 0.89 SLC9A1 (0.39) SLC9A1GABRA2GABRB2MAPTLMNA
SCHEMBL5278204 0.88 SLC9A1 (0.40) SLC9A1MAPTLMNAHCAR3SMPD1
SCHEMBL5280790 0.86 SLC9A1 (0.36) SLC9A1GABRA2GABRB2GABRB3ALDH1A1
SCHEMBL5275329 0.85 SLC9A1 (0.43) SLC9A1MAPTLMNAHCAR3SMPD1
SCHEMBL5284978 0.85 SLC9A1 (0.38) SLC9A1GABRA2GABRB2MAPTLMNA
SCHEMBL5277451 0.84 SLC9A1 (0.42) SLC9A1MAPTLMNAHCAR3SMPD1
SCHEMBL5281116 0.83 SLC9A1 (0.39) SLC9A1GABRA2GABRB2LMNAHTT

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