SCHEMBL11441990

SCHEMBL11441990

CN(C)CCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 4/20 0.87
FTO Q9C0B1 3/20 0.87
POLB P06746 5/20 0.69
RAD52 P43351 2/20 0.69
NR1I2 O75469 1/20 0.69
AHR P35869 1/20 0.69
RCE1 Q9Y256 1/20 0.69
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.64
S1PR1 P21453 1/20 0.64
HTT P42858 1/20 0.64
RECQL P46063 1/20 0.64
RAB9A P51151 1/20 0.64
PAX8 Q06710 1/20 0.64
LCK P06239 1/20 0.64
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
CCR6 P51684 1/20 0.62

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
SCHEMBL2989147 0.97 FTO (0.85) PABPC1FTOPOLBRAD52NR1I2
Mitonafide SCHEMBL29352711 0.93 FTO (1.00) PABPC1FTOPOLBRAD52NR1I2
Mitonafide SCHEMBL62046 0.93 FTO (1.00) PABPC1FTOPOLBRAD52NR1I2
Mitonafide SCHEMBL29499462 0.93 FTO (1.00) PABPC1FTOPOLBRAD52NR1I2
Mitonafide SCHEMBL5166813 0.92 FTO (0.98) PABPC1FTOPOLBRAD52NR1I2
SCHEMBL9501524 0.91 FTO (0.80) PABPC1FTOPOLBRAD52NR1I2
SCHEMBL11441587 0.89 PABPC1 (0.72) PABPC1FTOPOLBRAD52NR1I2
SCHEMBL9504075 0.88 FTO (0.87) PABPC1FTOPOLBRAD52NR1I2
SCHEMBL14560564 0.87 FTO (0.73) PABPC1FTOPOLBRAD52NR1I2
Mitonafide SCHEMBL5781995 0.87 FTO (0.88) PABPC1FTOPOLBRAD52NR1I2

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-4204063-A ANTITUMOR AGENTS LABORATORIOS MADE, S.A. (ES) 1980-05-20 US disclosed