SCHEMBL5286002

SCHEMBL5286002

CCCc1[nH]nnc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL5278295 0.89 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5273229 0.85 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL5284530 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5280256 0.76 FBP1 (0.34)
SCHEMBL18705278 0.75
SCHEMBL18705276 0.73
SCHEMBL5276663 0.70 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1
SCHEMBL5276709 0.70
SCHEMBL2888790 0.67
SCHEMBL5277933 0.67 HCAR2 (0.34)

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