SCHEMBL8649043

SCHEMBL8649043

NC(CCCCC(=O)c1ccc(CBr)c([N+](=O)[O-])c1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
GAA P10253 1/20 0.31
AGTR1 P30556 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
ACHE P22303 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
SCHEMBL6657903 0.85 PDK1 (0.38) PDK1MEN1KMT2AALDH1A1TDP1
SCHEMBL8651997 0.85 MEN1 (0.32) THRBGAAAGTR1MEN1KMT2A
SCHEMBL8651501 0.80 PDK1 (0.39) PDK1MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL3466064 0.79 TDP1 (0.46) MEN1KMT2ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL7799900 0.78 PDK1 (0.40) PDK1NPC1RAB9ATHRBGAA
SCHEMBL6035964 0.73 PRMT5 (0.41) THRBGAAMEN1KMT2AALDH1A1
SCHEMBL7797897 0.73 PRMT5 (0.43) NPC1RAB9ATHRATHRBGAA
SCHEMBL12930148 0.71 PDK1 (0.41) PDK1NPC1RAB9ATHRATHRB
SCHEMBL8100933 0.69 ALDH1A1 (0.36) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL28969702 0.68 PDK1 (0.40) PDK1NPC1RAB9ATHRBGAA

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-5790627-A Method and apparatus for observing a specimen using an X-ray microscope RESEARCH DEVELOPMENT CORP. (JP) 1998-08-04 US disclosed