SCHEMBL4847440

SCHEMBL4847440

O=c1[nH]c(-c2ccccc2P(=O)(O)O)nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 11/20 0.65
HPGD P15428 2/20 0.65
KDM4E B2RXH2 1/20 0.65
TNKS O95271 6/20 0.56
TNKS2 Q9H2K2 6/20 0.56
PARP1 P09874 3/20 0.56
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
PARP2 Q9UGN5 2/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL4579536 0.80 GUSB (0.63) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL29890314 0.79 GUSB (1.00) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL30259689 0.79 GUSB (1.00) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL296097 0.79 GUSB (1.00) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL6695759 0.78 TNKS2 (0.81) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL28135155 0.77 GUSB (0.69) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL13381565 0.77 GUSB (0.68) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL2606253 0.76 GUSB (0.68) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL802560 0.76 GUSB (0.68) GUSBHPGDKDM4ETNKSTNKS2
SCHEMBL4712040 0.76 GUSB (0.68) GUSBHPGDKDM4ETNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348160-B2 Phosphoamidase assay MERCK PATENT GMBH (DE) 2008-03-25 US claimed
US-7348160-B2 Phosphoamidase assay MERCK PATENT GMBH (DE) 2008-03-25 US disclosed
EP-1468108-B1 PHOSPHOAMIDASE ASSAY MERCK PATENT GMBH (DE) 2005-12-14 EP disclosed
US-20050124023-A1 Phosphoamidase assay MERCK PATENT GMBH (DE) 2005-06-09 US disclosed
EP-1468108-A1 PHOSPHOAMIDASE ASSAY MERCK PATENT GmbH (DE) 2004-10-20 EP disclosed
WO-2004044233-A1 PHOSPHOAMIDASE ASSAY MERCK PATENT GMBH (DE) 2004-05-27 WO disclosed