SCHEMBL3947253

SCHEMBL3947253

O=S(=O)(CCO)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 11/20 0.77
CYP1A2 P05177 1/20 0.77
AHR P35869 1/20 0.77
HDAC6 Q9UBN7 1/20 0.77
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPN5 P54829 1/20 0.54
ESR1 P03372 2/20 0.49
ESR2 Q92731 1/20 0.49
MAOB P27338 1/20 0.48
SLC47A1 Q96FL8 1/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
MAPT P10636 5/20 0.47
THRB P10828 1/20 0.47
MEN1 O00255 1/20 0.47

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
Ezutromid SCHEMBL31080435 0.87 UTRN (1.00) UTRNCYP1A2AHRHDAC6PTPN2
Ezutromid SCHEMBL29376738 0.87 UTRN (1.00) UTRNCYP1A2AHRHDAC6PTPN2
Ezutromid SCHEMBL30791155 0.87 UTRN (1.00) UTRNCYP1A2AHRHDAC6PTPN2
Ezutromid SCHEMBL732212 0.87 UTRN (1.00) UTRNCYP1A2AHRHDAC6PTPN2
Ezutromid SCHEMBL3954452 0.84 UTRN (0.84) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL3944431 0.82 UTRN (0.77) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL3948026 0.76 UTRN (0.65) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL3949434 0.76 MAPT (0.58) UTRNCYP1A2AHRHDAC6ESR1
SCHEMBL2245091 0.75 UTRN (0.78) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL2242906 0.75 UTRN (0.78) UTRNCYP1A2AHRHDAC6PTPN2

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
WO-2009021750-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 WO disclosed