SCHEMBL5790845

SCHEMBL5790845

C[C@H](Oc1cccc2cccnc12)C(=O)O.[Na]

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
LMNA P02545 4/20 0.54
METAP2 P50579 2/20 0.54
METAP1 P53582 2/20 0.54
HDAC6 Q9UBN7 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.51
PRMT5 O14744 6/20 0.50
KMT2A Q03164 3/20 0.50
WDR77 Q9BQA1 3/20 0.50
MEN1 O00255 2/20 0.50
HSP90AA1 P07900 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL30013579 0.98 POLB (0.61) POLBLMNAMETAP2METAP1HDAC6
SCHEMBL1043186 0.98 POLB (0.61) POLBLMNAMETAP2METAP1HDAC6
SCHEMBL5790837 0.97 POLB (0.60) POLBLMNAMETAP2METAP1HDAC6
SCHEMBL5792452 0.84 POLB (0.59) POLBLMNAMETAP2METAP1HDAC6
SCHEMBL5790838 0.84 POLB (0.56) POLBLMNAMETAP2METAP1HDAC6
SCHEMBL5792686 0.84 POLB (0.59) POLBLMNAMETAP2METAP1HDAC6
SCHEMBL15818865 0.84 POLB (0.59) POLBLMNAMETAP2METAP1HDAC6
SCHEMBL15820245 0.82 POLB (0.54) POLBLMNAMETAP2METAP1HDAC6
SCHEMBL9284195 0.81 LMNA (0.55) POLBLMNAMETAP2METAP1HDAC6
SCHEMBL1101672 0.79 MEN1 (0.72) POLBLMNAMETAP2METAP1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663234-A1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HIV INFECTIONS Pfizer Limited (GB) 2006-06-07 EP disclosed
WO-2005016344-A1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HIV INFECTIONS PFIZER LIMITED (GB) 2005-02-24 WO disclosed