SCHEMBL8533944

SCHEMBL8533944

CC(=O)Nc1c(F)cc([N+](=O)[O-])c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 6/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 3/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
PKM P14618 1/20 0.39
CA12 O43570 1/20 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
SCHEMBL6675027 0.87 MAPT (0.47) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL30002654 0.81 MAPT (0.45) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL10472926 0.81 MAPT (0.45) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL3449671 0.81 MAPT (0.47) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL10129547 0.81 GAA (0.48) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL405926 0.79 ALDH1A1 (0.48) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL7746026 0.79 ALDH1A1 (0.44) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL8466527 0.78 SMN1; SMN2 (0.50) ALDH1A1GAAMAPTKDM4ELMNA
SCHEMBL21684641 0.77 MAPT (0.44) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL7247838 0.77 GAA (0.41) ALDH1A1GAAMAPTKDM4EHTT

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-0839053-A2 COMPOUNDS AND METHODS FOR TREATMENT OF EGF RECEPTOR ASSOCIATED CANCERS AND PURIFICATION OF THE EGF RECEPTOR GlycoTech Corp. (US) 1998-05-06 EP disclosed
WO-1997003701-A2 COMPOUNDS AND METHODS FOR TREATMENT OF EGF RECEPTOR ASSOCIATED CANCERS AND PURIFICATION OF THE EGF RECEPTOR GLYCOTECH CORP. (US) 1997-02-06 WO disclosed