SCHEMBL4853907

SCHEMBL4853907

O=c1[nH]c(-c2cc(Cl)ccc2P(=O)(O)O)nc2ccc(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.52
TNKS2 Q9H2K2 2/20 0.52
PARP1 P09874 2/20 0.52
GUSB P08236 5/20 0.51
KDM4E B2RXH2 2/20 0.48
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44
TUBB2B Q9BVA1 2/20 0.44
TUBB1 Q9H4B7 2/20 0.44

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
Phosphoric Acid SCHEMBL3658256 0.85 GUSB (0.54) TNKSTNKS2PARP1GUSBKDM4E
Phosphoric Acid SCHEMBL3660040 0.84 GUSB (0.53) TNKSTNKS2PARP1GUSBKDM4E
SCHEMBL18258703 0.82 GUSB (0.60) TNKSTNKS2PARP1GUSBKDM4E
SCHEMBL31066915 0.82 GUSB (0.60) TNKSTNKS2PARP1GUSBKDM4E
SCHEMBL29351150 0.81 TNKS (0.49) TNKSTNKS2PARP1GUSBKDM4E
SCHEMBL1232936 0.81 TNKS (0.49) TNKSTNKS2PARP1GUSBKDM4E
Phosphoric Acid SCHEMBL3660034 0.81 GUSB (0.51) TNKSTNKS2PARP1GUSBKDM4E
SCHEMBL2370223 0.81 GUSB (0.59) TNKSTNKS2PARP1GUSBKDM4E
SCHEMBL29890298 0.81 GUSB (0.59) TNKSTNKS2PARP1GUSBKDM4E
SCHEMBL3660038 0.81 TNKS (0.48) TNKSTNKS2PARP1GUSBKDM4E

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