SCHEMBL4028647

SCHEMBL4028647

CC1=C(CC(N)C(=O)[C@@H](N)[C@@H](C)O)C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 3/20 0.50
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
APAF1 O14727 1/20 0.50
MITF O75030 1/20 0.50
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
TBXAS1 P24557 1/20 0.41
PKM P14618 8/20 0.39
CDC25B P30305 3/20 0.38
S100A4 P26447 2/20 0.38
PTGS1 P23219 2/20 0.38

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
Hypochlorous Acid SCHEMBL4102672 0.97 MAPT (0.48) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL4200420 0.90 MAPT (0.48) MAPTALDH1A1LMNAHTTKDM4E
Hypochlorous Acid SCHEMBL4110353 0.88 MAPT (0.46) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL4210830 0.87 MAPT (0.50) MAPTALDH1A1LMNAHTTKDM4E
Hypochlorous Acid SCHEMBL4116052 0.84 MAPT (0.48) MAPTALDH1A1LMNAHTTKDM4E
Hypochlorous Acid SCHEMBL4110717 0.81 MAPT (0.47) MAPTALDH1A1LMNAHTTKDM4E
Hydrochloric Acid SCHEMBL4113957 0.79 MAPT (0.58) MAPTALDH1A1LMNAHTTKDM4E
Hypochlorous Acid SCHEMBL4113963 0.78 MAPT (0.57) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL13649303 0.77 MAPT (0.49) MAPTALDH1A1LMNAHTTKDM4E
Hypochlorous Acid SCHEMBL4115442 0.76 MAPT (0.48) MAPTALDH1A1LMNAHTTKDM4E

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-2010481-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS Fluofarma (FR) 2009-01-07 EP disclosed
WO-2007125196-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2007-11-08 WO disclosed