SCHEMBL11302011

SCHEMBL11302011

CCCCOc1ccccc1C(=[N+]=[N-])c1ccccc1OCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
NR1I2 O75469 1/20 0.53
CHRM2 P08172 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADRA2A P08913 1/20 0.53
OPRK1 P41145 1/20 0.53
HTR2B P41595 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2494574 0.84 LMNA (0.60) LMNAKMT2AMAPTMEN1NR1I2
SCHEMBL4366626 0.78 LMNA (0.54) LMNAKMT2AMAPTMEN1NR1I2
SCHEMBL4365539 0.78 LMNA (0.54) LMNAKMT2AMAPTMEN1NR1I2
SCHEMBL9898531 0.77 LMNA (0.66) LMNAKMT2AMAPTMEN1NR1I2
SCHEMBL29994009 0.76 KMT2A (0.69) LMNAKMT2AMAPTMEN1NR1I2
SCHEMBL8154526 0.76 LMNA (0.74) LMNAKMT2AMAPTMEN1NR1I2
SCHEMBL50006 0.76 LMNA (0.64) LMNAKMT2AMAPTMEN1NR1I2
SCHEMBL5034596 0.76 LMNA (0.55) LMNAKMT2AMAPTMEN1NR1I2
SCHEMBL301123 0.76 KMT2A (0.69) LMNAKMT2AMAPTMEN1NR1I2
Benzene SCHEMBL28006345 0.76 KMT2A (0.69) LMNAKMT2AMAPTMEN1NR1I2

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
US-4280819-A FUEL ADDITIVES ALSO FOR JET FUELS GULF RESEARCH & DEVELOPMENT COMPANY (US) 1981-07-28 US disclosed