SCHEMBL6543078

SCHEMBL6543078

NCCC(N)(Cc1ccccc1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.39
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
MAPK1 P28482 2/20 0.37
MGLL Q99685 2/20 0.36
PARL Q9H300 2/20 0.36
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
SLC1A2 P43004 1/20 0.35
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 2/20 0.34
RECQL P46063 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX12 P18054 1/20 0.33
MMP8 P22894 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL27942905 0.76 SMN1; SMN2 (0.44) SMN1; SMN2HIF1AMAPK1ALDH1A1KMT2A
SCHEMBL28808332 0.75 SMN1; SMN2 (0.43) SMN1; SMN2HIF1AMAPK1MGLLALDH1A1
SCHEMBL7653153 0.74 ARG1 (0.62) SMN1; SMN2HIF1AARG1ARG2MAPK1
SCHEMBL31212621 0.73 MGLL (0.39) HIF1AMAPK1MGLLPARLALDH1A1
SCHEMBL28071453 0.71 KMT2A (0.31) MGLLKMT2A
SCHEMBL16089841 0.71 ALDH1A1 (0.46) SMN1; SMN2MGLLALDH1A1PKMRECQL
SCHEMBL2450503 0.70 KMT2A (0.57) SMN1; SMN2MAPK1MGLLPARLALDH1A1
SCHEMBL875061 0.69 CCNE1 (0.40) MAPK1MGLLPARLALDH1A1PKM
SCHEMBL9712261 0.69 ALDH1A1 (0.41) SMN1; SMN2MAPK1ALDH1A1
SCHEMBL11042794 0.69 CCNE1 (0.41) SMN1; SMN2ALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206251-A4 AMPLIFICATION OF FOLATE-MEDIATED TARGETING TO TUMOR CELLS USING NANOPARTICLES ACCESS PHARMACEUTICALS AUSTRAL (AU) 2004-06-30 EP disclosed
EP-1206251-A1 AMPLIFICATION OF FOLATE-MEDIATED TARGETING TO TUMOR CELLS USING NANOPARTICLES BIOTECH AUSTRALIA PTY. LIMITED (AU) 2002-05-22 EP disclosed
WO-2000066090-A1 AMPLIFICATION OF FOLATE-MEDIATED TARGETING TO TUMOR CELLS USING NANOPARTICLES BIOTECH AUSTRALIA PTY LIMITED (AU) 2000-11-09 WO disclosed