SCHEMBL5281991

SCHEMBL5281991

CCc1c([N+](=O)[O-])nnn1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
JAK2 O60674 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL5276495 0.87 SMN1; SMN2 (0.36) LMNAMAPTHTTBLMKMT2A
SCHEMBL5283309 0.85 LMNA (0.30) LMNAMAPTHTTBLMKMT2A
SCHEMBL5276599 0.84 LMNA (0.32) LMNAMAPTHTTBLMKMT2A
SCHEMBL5275597 0.82
SCHEMBL5280108 0.77 CYP2C19 (0.32) LMNAMAPTHTTBLMKMT2A
SCHEMBL5278304 0.77 ALDH1A1 (0.38) LMNAMAPTHTTBLMKMT2A
SCHEMBL5276547 0.77 ALDH1A1 (0.32) LMNAMAPTHTTBLMKMT2A
SCHEMBL5277744 0.75 GRIA1 (0.34) LMNAMAPTHTTBLMKMT2A
SCHEMBL5279635 0.75 KDM4E (0.41) LMNAMAPTHTTCYP2C19CYP1A2
SCHEMBL5277172 0.75 CYP2C19 (0.32) LMNAMAPTCYP3A4CYP2C19CYP1A2

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