SCHEMBL5280839

SCHEMBL5280839

CCCCCCn1nnc(C#N)c1CCCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.42
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP19A1 P11511 6/20 0.35
MAOB P27338 1/20 0.34
HCAR3 P49019 1/20 0.33
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
GRM2 Q14416 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL5280676 0.94 SLC9A1 (0.42) SLC9A1ALDH1A1MAPK1CYP19A1HCAR3
SCHEMBL5274892 0.93 ALDH1A1 (0.40) SLC9A1ALDH1A1MAPK1CYP19A1MAOB
SCHEMBL5275824 0.90 ALDH1A1 (0.40) SLC9A1ALDH1A1MAPK1CYP19A1MAOB
SCHEMBL5279791 0.89 SLC9A1 (0.43) SLC9A1ALDH1A1MAPK1CYP19A1HCAR3
SCHEMBL5278982 0.87 SLC9A1 (0.39) SLC9A1ALDH1A1MAPK1CYP19A1HCAR3
SCHEMBL5278870 0.87 ALDH1A1 (0.40) ALDH1A1MAPK1CYP19A1MAOB
SCHEMBL5286196 0.86 SLC9A1 (0.39) SLC9A1CYP19A1HCAR3MAPT
SCHEMBL5277270 0.83 SLC9A1 (0.39) SLC9A1CYP19A1HCAR3MAPT
SCHEMBL5280990 0.82 SLC9A1 (0.43) SLC9A1ALDH1A1MAPK1CYP19A1HCAR3
SCHEMBL5273306 0.82 SLC9A1 (0.43) SLC9A1ALDH1A1MAPK1CYP19A1HCAR3

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