SCHEMBL5277604

SCHEMBL5277604

CCCCCCn1nnc(C)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.43
HCAR3 P49019 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP19A1 P11511 6/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL5278792 0.93 SLC9A1 (0.40) SLC9A1HCAR3ALDH1A1GRM2
SCHEMBL5280296 0.86 SLC9A1 (0.37) SLC9A1HCAR3ALDH1A1KDM4EMAPT
SCHEMBL5280990 0.83 SLC9A1 (0.43) SLC9A1HCAR3ALDH1A1CYP19A1MAPT
SCHEMBL5283614 0.82 SLC9A1 (0.42) SLC9A1HCAR3ALDH1A1CYP19A1MAPT
SCHEMBL5276366 0.82 SLC9A1 (0.42) SLC9A1HCAR3ALDH1A1CYP19A1MAPT
SCHEMBL5278288 0.82 SLC9A1 (0.42) SLC9A1HCAR3ALDH1A1CYP19A1MAPT
SCHEMBL5274744 0.82 SLC9A1 (0.42) SLC9A1HCAR3ALDH1A1CYP19A1MAPT
SCHEMBL5282456 0.81 SLC9A1 (0.41) SLC9A1HCAR3ALDH1A1CYP19A1MAPT
SCHEMBL5275209 0.81 SLC9A1 (0.41) SLC9A1HCAR3ALDH1A1CYP19A1MAPT
SCHEMBL5283287 0.80 SLC9A1 (0.40) SLC9A1HCAR3ALDH1A1CYP19A1MAPT

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