SCHEMBL8439711

SCHEMBL8439711

CCCCCc1ccccc1N(CCC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
NPY2R P49146 1/20 0.36
VDR P11473 1/20 0.35
HCAR3 P49019 3/20 0.35
PLA2G4B P0C869 1/20 0.34

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
SCHEMBL8301531 0.92 ALDH1A1 (0.46) ALDH1A1KMT2AMAPK1MEN1GAA
SCHEMBL8302742 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1MEN1GAA
SCHEMBL8306053 0.76 ALDH1A1 (0.48) ALDH1A1KMT2AMAPK1MEN1GAA
SCHEMBL8300946 0.75 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1MEN1GAA
SCHEMBL8306989 0.75 ALDH1A1 (0.44) ALDH1A1KMT2AMAPK1MEN1GAA
SCHEMBL8307242 0.74 SMN1; SMN2 (0.46) ALDH1A1KMT2AMAPK1MEN1GAA
SCHEMBL8303213 0.72 LMNA (0.46) ALDH1A1KMT2AMAPK1MEN1GAA
SCHEMBL8304839 0.72 ALDH1A1 (0.46) ALDH1A1KMT2AMAPK1MEN1GAA
SCHEMBL8304450 0.70 CASP6 (0.47) ALDH1A1KMT2AMAPK1MEN1MAPT
SCHEMBL11381136 0.68 ALDH1A1 (0.62) ALDH1A1KMT2AMAPK1GAAL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934068-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
WO-1998009630-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-12 WO disclosed