SCHEMBL16404012

SCHEMBL16404012

NC(=O)c1cc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.55
CSNK2A1 P68400 4/20 0.50
VCP P55072 1/20 0.50
MAPT P10636 7/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 2/20 0.48
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
PKM P14618 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
SCHEMBL14315416 0.90 EIF4E (0.61) EIF4ECSNK2A1VCPMAPTMEN1
SCHEMBL14150266 0.87 EIF4E (0.52) EIF4ECSNK2A1VCPMAPTMEN1
SCHEMBL14317624 0.87 EIF4E (0.52) EIF4ECSNK2A1VCPMAPTMEN1
SCHEMBL14315465 0.84 ATP4A (0.52) EIF4ECSNK2A1VCPMAPTMEN1
SCHEMBL14315418 0.84 EIF4E (0.50) EIF4EMAPTMEN1KMT2AALDH1A1
SCHEMBL16404087 0.83 EIF4E (0.49) EIF4ECSNK2A1VCPMAPTMEN1
SCHEMBL16404009 0.83 ATP4A (0.54) EIF4ECSNK2A1MAPTMEN1KMT2A
SCHEMBL14315417 0.83 HSD17B1 (0.49) EIF4EMAPTMEN1KMT2AALDH1A1
SCHEMBL7532579 0.79 HSD17B1 (0.72) EIF4ECSNK2A1VCPMAPTMEN1
SCHEMBL7089339 0.78 GAA (0.51) EIF4ECSNK2A1VCPMAPTMEN1

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