SCHEMBL5283309

SCHEMBL5283309

CC(C)Cc1c([N+](=O)[O-])nnn1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.30
MAPT P10636 2/20 0.30
HTT P42858 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5281991 0.85 LMNA (0.34) LMNAMAPTHTTBLMKMT2A
SCHEMBL5276495 0.82 SMN1; SMN2 (0.36) LMNAMAPTHTTBLMKMT2A
SCHEMBL5275307 0.81 GRIA1 (0.34) LMNAMAPTHTTBLMKMT2A
SCHEMBL5275597 0.81
SCHEMBL5276599 0.80 LMNA (0.32) LMNAMAPTHTTBLMKMT2A
SCHEMBL5347967 0.79 GRIA1 (0.37)
SCHEMBL5279885 0.76 GRIA4 (0.40) LMNAMAPTHTTBLMKMT2A
SCHEMBL5276547 0.75 ALDH1A1 (0.32) LMNAMAPTHTTBLMKMT2A
SCHEMBL5280108 0.75 CYP2C19 (0.32) LMNAMAPTHTTBLMKMT2A
SCHEMBL5276968 0.74 SLC9A1 (0.34) LMNAMAPTHTTBLMKMT2A

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