SCHEMBL6937522

SCHEMBL6937522

CC(C)N(C(=O)COc1ccccc1)c1nc2nc[nH]c2c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE5A O76074 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GDA Q9Y2T3 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC2A1 P11166 1/20 0.38
HPGD P15428 1/20 0.37
PNP P00491 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3236121 0.83 PDE5A (0.41) KDM4EALDH1A1TSHRHSD17B10GAA
SCHEMBL3222570 0.81 USP2 (0.44) KDM4EALDH1A1HSD17B10PDE5AMEN1
SCHEMBL29564141 0.73 GDA (0.49) ALDH1A1GDAPNP
SCHEMBL1970070 0.73 GDA (0.58) ALDH1A1GAAGDASMN1; SMN2MAPT
SCHEMBL5798037 0.72 GRIA1 (0.45) PDE5AGDASLC2A1PNP
SCHEMBL29131184 0.71 PNP (0.43) ALDH1A1PDE5AGDASLC2A1PNP
SCHEMBL18343349 0.70 SMN1; SMN2 (0.51) KDM4EALDH1A1TSHRHSD17B10GAA
SCHEMBL1286929 0.69 PNP (0.50) ALDH1A1PDE5AGDASLC2A1PNP
SCHEMBL8591405 0.69 GDA (0.52) ALDH1A1GDAPNP
SCHEMBL3433603 0.69 TSHR (0.52) TSHRGAANPSR1PDE5AKMT2A

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
US-6573045-B1 Reporter molecule and RNA target molecule, both carrying a fluorescent or chromogenic group, placed in close proximity to each other; addition of test compound inhibits their binding and increases fluorescence; drug screening RIBOTARGETS, LTD. (GB) 2003-06-03 US disclosed
EP-1144681-A3 METHODS AND KITS FOR DISCOVERY OF RNA-BINDING COMPOUNDS RiboTargets Limited (GB) 2001-11-28 EP disclosed
EP-1144681-A2 METHODS AND KITS FOR DISCOVERY OF RNA-BINDING COMPOUNDS RiboTargets Limited (GB) 2001-10-17 EP disclosed
WO-1999064625-A2 METHODS AND KITS FOR DISCOVERY OF RNA-BINDING COMPOUNDS RIBOTARGETS LIMITED (GB) 1999-12-16 WO disclosed