SCHEMBL5980751

SCHEMBL5980751

[CH2]c1ccccc1Sc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 9/20 0.56
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
MAPT P10636 5/20 0.48
LMNA P02545 1/20 0.48
PDE7B Q9NP56 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
HSPB1 P04792 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
PSMD14 O00487 1/20 0.40

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
SCHEMBL6743647 0.80 PDE7A (0.73) PDE7ATXNRD1TXNRD3TXNRD2MAPT
SCHEMBL1645800 0.79 MAPT (0.60) PDE7ATXNRD1TXNRD3TXNRD2MAPT
SCHEMBL1340757 0.79 PDE7A (0.55) PDE7ATXNRD1TXNRD3TXNRD2MAPT
SCHEMBL1644247 0.77 PDE7A (0.56) PDE7ATXNRD1TXNRD3TXNRD2MAPT
SCHEMBL1341060 0.77 PDE7A (0.55) PDE7ATXNRD1TXNRD3TXNRD2MAPT
SCHEMBL1644221 0.76 SLC6A4 (0.69) PDE7ALMNATDP1SLC6A2SLC6A4
SCHEMBL1644242 0.76 PDE7A (0.49) PDE7ATXNRD1TXNRD3TXNRD2MAPT
SCHEMBL6741226 0.76 PDE7A (0.67) PDE7ATXNRD1TXNRD3TXNRD2MAPT
SCHEMBL1644238 0.75 SLC6A4 (0.76) PDE7AMAPTLMNAPOLBL3MBTL1
SCHEMBL1645187 0.75 SLC6A4 (0.64) PDE7AMAPTLMNAPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519917-A4 CARBON-11 AND FLUORINE-18 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR THE BRAIN SEROTONIN TRANSPORTERS UNIV COLUMBIA (US) 2006-05-17 EP disclosed
EP-1519917-A2 CARBON-11 AND FLUORINE-18 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR THE BRAIN SEROTONIN TRANSPORTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2005-04-06 EP disclosed
WO-2003096978-A2 CARBON-11 AND FLUORINE-18 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR THE BRAIN SEROTONIN TRANSPORTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2003-11-27 WO disclosed