SCHEMBL7800682

SCHEMBL7800682

COc1ccc(C2=NN(Cc3ccc([N+](=O)[O-])cc3)C(=O)SC2)cc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
PDE4B Q07343 9/20 0.47
PDE4D Q08499 4/20 0.44
PDE4A P27815 4/20 0.44
PDE4C Q08493 3/20 0.44
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
MET P08581 1/20 0.43
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 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
SCHEMBL7803060 0.96 MAPT (0.48) MAPTALDH1A1GAAPDE4BPDE4D
SCHEMBL7801843 0.92 PDE4B (0.52) MAPTALDH1A1GAAPDE4BPDE4D
SCHEMBL7800712 0.88 PDE4B (0.47) MAPTALDH1A1GAAPDE4BPDE4D
SCHEMBL7802753 0.88 PDE4B (0.47) MAPTALDH1A1GAAPDE4BPDE4D
SCHEMBL7800753 0.87 PDE4B (0.48) MAPTALDH1A1GAAPDE4BPDE4D
SCHEMBL7800497 0.87 PDE4B (0.46) MAPTALDH1A1GAAPDE4BPDE4D
SCHEMBL7800569 0.87 PDE4B (0.48) ALDH1A1PDE4BPDE4DPDE4APDE4C
SCHEMBL7800740 0.86 PDE4B (0.47) MAPTALDH1A1GAAPDE4BPDE4D
SCHEMBL7792962 0.85 PDE4B (0.46) MAPTALDH1A1GAAPDE4BPDE4D
SCHEMBL7792918 0.83 PDE4B (0.48) ALDH1A1PDE4BPDE4DPDE4APDE4C

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
EP-0723962-B1 Arylalkyl-thiadiazinones MERCK PATENT GMBH (DE) 2001-07-04 EP disclosed
US-6025354-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-15 US disclosed
US-5747489-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed
EP-0723962-A1 Arylalkyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed