SCHEMBL5278403

SCHEMBL5278403

CC(C)c1[nH]nnc1C#N

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.36
MAPT P10636 1/20 0.32
AGTR1 P30556 1/20 0.32
GRM5 P41594 1/20 0.31
LMNA P02545 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
SCHEMBL5283765 0.70
SCHEMBL5276600 0.69 KDM4E (0.34) ERBB2
SCHEMBL1457382 0.67
Lithium SCHEMBL30032137 0.65 ALDH1A1 (0.31)
SCHEMBL11389906 0.65
SCHEMBL8623475 0.65
Potassium SCHEMBL30716851 0.65 ALDH1A1 (0.31)
SCHEMBL4342547 0.65 ALDH1A1 (0.31)
Ammonia Solution, Strong SCHEMBL29058746 0.65 ALDH1A1 (0.31)
SCHEMBL29149671 0.65 ALDH1A1 (0.31)

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