SCHEMBL10046422

SCHEMBL10046422

CC(=O)O[C@H](C)CCCCOc1nn(CCCC[C@H](O)C(F)(F)F)c(=O)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.36
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
PKM P14618 1/20 0.35
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL765129 0.92 KAT2B (0.42) KAT2BKMT2AMAPTMEN1HPGD
SCHEMBL10046499 0.91 KMT2A (0.37) KAT2BKMT2AMAPTMEN1HPGD
SCHEMBL10046421 0.90 KAT2B (0.39) KAT2BKMT2AMAPTMEN1HPGD
SCHEMBL765562 0.90 KAT2B (0.39) KAT2BKMT2AMAPTMEN1HPGD
SCHEMBL14605533 0.87 ALDH1A1 (0.43) KAT2BKMT2AMAPTMEN1TSHR
SCHEMBL15423259 0.85 KMT2A (0.37) KAT2BKMT2AMAPTMEN1HPGD
SCHEMBL14605534 0.81 KMT2A (0.36) KAT2BKMT2AMAPTMEN1HPGD
SCHEMBL764385 0.80 KMT2A (0.36) KAT2BKMT2AMAPTALDH1A1
SCHEMBL765094 0.80 KAT2B (0.46) KAT2BKMT2AMAPTMEN1HPGD
SCHEMBL765112 0.80 CNR1 (0.33)

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-2325169-A9 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES University Of Virginia Patent Foundation (US) 2012-03-21 EP disclosed
EP-2325169-A2 Lisofylline analogues and their pharmeacuetical uses University Of Virginia Patent Foundation (US) 2011-05-25 EP disclosed