SCHEMBL15041234

SCHEMBL15041234

C[N+](C)(C)CCOCCNc1cc(N)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
PTGER4 P35408 2/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
NQO2 P16083 3/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
NCF1 P14598 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
SCHEMBL15041235 0.92 LMNA (0.33) LMNAPTGER4ALDH1A1MAPTNQO2
SCHEMBL15545636 0.88 PTGER4 (0.42) PTGER4ALDH1A1MAPTKDM4EMEN1
SCHEMBL14785297 0.86 CYP3A4 (0.36) LMNAPTGER4ALDH1A1MAPT
SCHEMBL15041173 0.84 LMNA (0.39) LMNAMAPTNQO2KDM4ETP53
SCHEMBL15041175 0.81 NQO2 (0.39) LMNANQO2CASP1
SCHEMBL15546508 0.80 PTGER4 (0.40) PTGER4ALDH1A1MAPTNQO2KDM4E
SCHEMBL15041232 0.79 LMNA (0.35) LMNANQO2
SCHEMBL14784621 0.78 CYP3A4 (0.35) LMNAPTGER4ALDH1A1
SCHEMBL855211 0.78 PTGER4 (0.51) LMNAPTGER4ALDH1A1MAPTNQO2
SCHEMBL15041233 0.77 LMNA (0.34) LMNANQO2

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