SCHEMBL5276366

SCHEMBL5276366

CCCCCCn1nnc(F)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.42
MAPT P10636 1/20 0.34
HCAR3 P49019 1/20 0.33
TOP2A P11388 1/20 0.33
CYP19A1 P11511 6/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GRM2 Q14416 1/20 0.31
SMPD1 P17405 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
SCHEMBL5282790 0.93 SLC9A1 (0.39) SLC9A1HCAR3TOP2AGRM2
SCHEMBL5274174 0.86 SLC9A1 (0.36) SLC9A1TOP2AALDH1A1GRM2
SCHEMBL5280990 0.82 SLC9A1 (0.43) SLC9A1MAPTHCAR3CYP19A1ALDH1A1
SCHEMBL5277604 0.82 SLC9A1 (0.43) SLC9A1MAPTHCAR3CYP19A1ALDH1A1
SCHEMBL5274744 0.81 SLC9A1 (0.42) SLC9A1MAPTHCAR3CYP19A1ALDH1A1
SCHEMBL5283614 0.81 SLC9A1 (0.42) SLC9A1MAPTHCAR3CYP19A1ALDH1A1
SCHEMBL5278288 0.81 SLC9A1 (0.42) SLC9A1MAPTHCAR3CYP19A1ALDH1A1
SCHEMBL5282045 0.80 SLC9A1 (0.39) SLC9A1MAPTHCAR3CYP19A1LMNA
SCHEMBL5275209 0.79 SLC9A1 (0.41) SLC9A1MAPTHCAR3CYP19A1ALDH1A1
SCHEMBL5282456 0.79 SLC9A1 (0.41) SLC9A1MAPTHCAR3CYP19A1ALDH1A1

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