SCHEMBL16404002

SCHEMBL16404002

COC(=O)c1cc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
RAB9A P51151 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPK1 P28482 1/20 0.51
GAA P10253 2/20 0.50
EIF4E P06730 2/20 0.48
PTPRF P10586 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL14150266 0.89 EIF4E (0.52) MAPTRAB9AMEN1KMT2AGAA
SCHEMBL16404001 0.87 EIF4E (0.57) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL16404021 0.86 THRB (0.47) MAPTMEN1KMT2AEIF4E
SCHEMBL14306164 0.85 EIF4E (0.49) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL14318314 0.85 EIF4E (0.49) EIF4E
SCHEMBL27721951 0.81 MEN1 (0.53) MAPTMEN1KMT2AMAPK1GAA
SCHEMBL16404162 0.81 ATP4A (0.55) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL16404000 0.78 NAMPT (0.46) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL14318315 0.78 EIF4E (0.40) RAB9AMEN1KMT2AEIF4ESMN1; SMN2
SCHEMBL14482063 0.77 RAB9A (0.75) MAPTRAB9AMEN1KMT2AMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718290-B1 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CLEVEXEL PHARMA (FR) 2016-05-04 EP disclosed
EP-2718290-B1 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CLEVEXEL PHARMA (FR) 2016-05-04 EP disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed