SCHEMBL15041235

SCHEMBL15041235

C[N+](C)(C)CCCOCCNc1cc(N)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
NQO2 P16083 3/20 0.32
PTGER4 P35408 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL15041234 0.92 LMNA (0.34) LMNANQO2PTGER4ALDH1A1MAPT
SCHEMBL15546508 0.89 PTGER4 (0.40) NQO2PTGER4ALDH1A1MAPT
SCHEMBL14784621 0.86 CYP3A4 (0.35) LMNAPTGER4ALDH1A1
SCHEMBL15041175 0.85 NQO2 (0.39) LMNANQO2
SCHEMBL15041173 0.82 LMNA (0.39) LMNANQO2MAPT
SCHEMBL15545636 0.80 PTGER4 (0.42) PTGER4ALDH1A1MAPT
SCHEMBL15041233 0.80 LMNA (0.34) LMNANQO2
SCHEMBL14785297 0.78 CYP3A4 (0.36) LMNAPTGER4ALDH1A1MAPT
SCHEMBL15041232 0.77 LMNA (0.35) LMNANQO2
SCHEMBL855211 0.76 PTGER4 (0.51) LMNANQO2PTGER4ALDH1A1MAPT

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
WO-2013087934-A1 CATIONIC PARA-PHENYLENEDIAMINES, COMPOSITION COMPRISING AT LEAST SUCH COMPOUNDS, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2013-06-20 WO disclosed